# generated using pymatgen data_Nb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.55740900 _cell_length_b 12.55740771 _cell_length_c 23.02493900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000076 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb _chemical_formula_sum Nb168 _cell_volume 3144.33747197 _cell_formula_units_Z 168 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nb Nb0 1 0.299082 0.440248 0.994490 1 Nb Nb1 1 0.603903 0.091712 0.066021 1 Nb Nb2 1 0.952844 0.761393 0.153004 1 Nb Nb3 1 0.285953 0.428952 0.231468 1 Nb Nb4 1 0.613848 0.091379 0.312636 1 Nb Nb5 1 0.961646 0.759246 0.406993 1 Nb Nb6 1 0.559752 0.858834 0.994490 1 Nb Nb7 1 0.908288 0.512192 0.066021 1 Nb Nb8 1 0.238607 0.191451 0.153004 1 Nb Nb9 1 0.571048 0.857000 0.231468 1 Nb Nb10 1 0.908621 0.522470 0.312636 1 Nb Nb11 1 0.240754 0.202399 0.406993 1 Nb Nb12 1 0.802618 0.226048 0.985813 1 Nb Nb13 1 0.192759 0.954243 0.061759 1 Nb Nb14 1 0.527165 0.622026 0.147374 1 Nb Nb15 1 0.854377 0.282560 0.232233 1 Nb Nb16 1 0.188020 0.953011 0.311523 1 Nb Nb17 1 0.523908 0.625105 0.384172 1 Nb Nb18 1 0.141166 0.700918 0.994490 1 Nb Nb19 1 0.487807 0.396096 0.066021 1 Nb Nb20 1 0.808549 0.047156 0.153004 1 Nb Nb21 1 0.143000 0.714047 0.231468 1 Nb Nb22 1 0.477529 0.386151 0.312636 1 Nb Nb23 1 0.797601 0.038354 0.406993 1 Nb Nb24 1 0.423431 0.197382 0.985813 1 Nb Nb25 1 0.761484 0.807241 0.061759 1 Nb Nb26 1 0.094861 0.472836 0.147374 1 Nb Nb27 1 0.428182 0.145623 0.232233 1 Nb Nb28 1 0.764991 0.811980 0.311523 1 Nb Nb29 1 0.101197 0.476093 0.384172 1 Nb Nb30 1 0.773952 0.576569 0.985813 1 Nb Nb31 1 0.045757 0.238516 0.061759 1 Nb Nb32 1 0.377975 0.905139 0.147374 1 Nb Nb33 1 0.717440 0.571818 0.232233 1 Nb Nb34 1 0.046989 0.235009 0.311523 1 Nb Nb35 1 0.374896 0.898803 0.384172 1 Nb Nb36 1 0.000000 0.000000 0.983909 1 Nb Nb37 1 0.333333 0.666667 0.063222 1 Nb Nb38 1 0.666667 0.333333 0.149359 1 Nb Nb39 1 0.000000 0.000000 0.233682 1 Nb Nb40 1 0.333333 0.666667 0.312373 1 Nb Nb41 1 0.666667 0.333333 0.396856 1 Nb Nb42 1 0.958438 0.767864 0.037632 1 Nb Nb43 1 0.286344 0.431657 0.110281 1 Nb Nb44 1 0.615893 0.094849 0.189571 1 Nb Nb45 1 0.955359 0.761528 0.274430 1 Nb Nb46 1 0.287576 0.428150 0.360045 1 Nb Nb47 1 0.559381 0.090098 0.435991 1 Nb Nb48 1 0.232136 0.190574 0.037632 1 Nb Nb49 1 0.568343 0.854687 0.110281 1 Nb Nb50 1 0.905151 0.521043 0.189571 1 Nb Nb51 1 0.238472 0.193831 0.274430 1 Nb Nb52 1 0.571850 0.859426 0.360045 1 Nb Nb53 1 0.909902 0.469284 0.435991 1 Nb Nb54 1 0.535733 0.628313 0.014811 1 Nb Nb55 1 0.855804 0.280515 0.109168 1 Nb Nb56 1 0.190333 0.952620 0.190336 1 Nb Nb57 1 0.524785 0.619511 0.268800 1 Nb Nb58 1 0.845526 0.270570 0.355783 1 Nb Nb59 1 0.192167 0.965749 0.427314 1 Nb Nb60 1 0.809426 0.041562 0.037632 1 Nb Nb61 1 0.145313 0.713656 0.110281 1 Nb Nb62 1 0.478956 0.384106 0.189571 1 Nb Nb63 1 0.806169 0.044641 0.274430 1 Nb Nb64 1 0.140574 0.712424 0.360045 1 Nb Nb65 1 0.530715 0.440618 0.435991 1 Nb Nb66 1 0.092579 0.464268 0.014811 1 Nb Nb67 1 0.424712 0.144196 0.109168 1 Nb Nb68 1 0.762286 0.809667 0.190336 1 Nb Nb69 1 0.094726 0.475216 0.268800 1 Nb Nb70 1 0.425045 0.154474 0.355783 1 Nb Nb71 1 0.773582 0.807833 0.427314 1 Nb Nb72 1 0.371688 0.907421 0.014811 1 Nb Nb73 1 0.719485 0.575288 0.109168 1 Nb Nb74 1 0.047380 0.237714 0.190336 1 Nb Nb75 1 0.380490 0.905274 0.268800 1 Nb Nb76 1 0.729430 0.574955 0.355783 1 Nb Nb77 1 0.034251 0.226418 0.427314 1 Nb Nb78 1 0.666667 0.333333 0.024948 1 Nb Nb79 1 0.000000 0.000000 0.109431 1 Nb Nb80 1 0.333333 0.666667 0.188122 1 Nb Nb81 1 0.666667 0.333333 0.272445 1 Nb Nb82 1 0.000000 0.000000 0.358582 1 Nb Nb83 1 0.333333 0.666667 0.437895 1 Nb Nb84 1 0.802618 0.576569 0.485813 1 Nb Nb85 1 0.192759 0.238516 0.561759 1 Nb Nb86 1 0.527165 0.905139 0.647374 1 Nb Nb87 1 0.854377 0.571818 0.732233 1 Nb Nb88 1 0.188020 0.235009 0.811523 1 Nb Nb89 1 0.523908 0.898803 0.884172 1 Nb Nb90 1 0.773952 0.197382 0.485813 1 Nb Nb91 1 0.045757 0.807241 0.561759 1 Nb Nb92 1 0.377975 0.472836 0.647374 1 Nb Nb93 1 0.717440 0.145623 0.732233 1 Nb Nb94 1 0.046989 0.811980 0.811523 1 Nb Nb95 1 0.374896 0.476093 0.884172 1 Nb Nb96 1 0.141166 0.440248 0.494490 1 Nb Nb97 1 0.487807 0.091712 0.566021 1 Nb Nb98 1 0.808549 0.761393 0.653004 1 Nb Nb99 1 0.143000 0.428952 0.731468 1 Nb Nb100 1 0.477529 0.091379 0.812636 1 Nb Nb101 1 0.797601 0.759246 0.906993 1 Nb Nb102 1 0.559752 0.700918 0.494490 1 Nb Nb103 1 0.908288 0.396096 0.566021 1 Nb Nb104 1 0.238607 0.047156 0.653004 1 Nb Nb105 1 0.571048 0.714047 0.731468 1 Nb Nb106 1 0.908621 0.386151 0.812636 1 Nb Nb107 1 0.240754 0.038354 0.906993 1 Nb Nb108 1 0.000000 0.000000 0.483909 1 Nb Nb109 1 0.333333 0.666667 0.563222 1 Nb Nb110 1 0.666667 0.333333 0.649359 1 Nb Nb111 1 0.000000 0.000000 0.733682 1 Nb Nb112 1 0.333333 0.666667 0.812373 1 Nb Nb113 1 0.666667 0.333333 0.896856 1 Nb Nb114 1 0.423431 0.226048 0.485813 1 Nb Nb115 1 0.761484 0.954243 0.561759 1 Nb Nb116 1 0.094861 0.622026 0.647374 1 Nb Nb117 1 0.428182 0.282560 0.732233 1 Nb Nb118 1 0.764991 0.953011 0.811523 1 Nb Nb119 1 0.101197 0.625105 0.884172 1 Nb Nb120 1 0.299082 0.858834 0.494490 1 Nb Nb121 1 0.603903 0.512192 0.566021 1 Nb Nb122 1 0.952844 0.191451 0.653004 1 Nb Nb123 1 0.285953 0.857000 0.731468 1 Nb Nb124 1 0.613848 0.522470 0.812636 1 Nb Nb125 1 0.961646 0.202399 0.906993 1 Nb Nb126 1 0.535733 0.907421 0.514811 1 Nb Nb127 1 0.855804 0.575288 0.609168 1 Nb Nb128 1 0.190333 0.237714 0.690336 1 Nb Nb129 1 0.524785 0.905274 0.768800 1 Nb Nb130 1 0.845526 0.574955 0.855783 1 Nb Nb131 1 0.192167 0.226418 0.927314 1 Nb Nb132 1 0.371688 0.464268 0.514811 1 Nb Nb133 1 0.719485 0.144196 0.609168 1 Nb Nb134 1 0.047380 0.809667 0.690336 1 Nb Nb135 1 0.380490 0.475216 0.768800 1 Nb Nb136 1 0.729430 0.154474 0.855783 1 Nb Nb137 1 0.034251 0.807833 0.927314 1 Nb Nb138 1 0.809426 0.767864 0.537632 1 Nb Nb139 1 0.145313 0.431657 0.610281 1 Nb Nb140 1 0.478956 0.094849 0.689571 1 Nb Nb141 1 0.806169 0.761528 0.774430 1 Nb Nb142 1 0.140574 0.428150 0.860045 1 Nb Nb143 1 0.530715 0.090098 0.935991 1 Nb Nb144 1 0.232136 0.041562 0.537632 1 Nb Nb145 1 0.568343 0.713656 0.610281 1 Nb Nb146 1 0.905151 0.384106 0.689571 1 Nb Nb147 1 0.238472 0.044641 0.774430 1 Nb Nb148 1 0.571850 0.712424 0.860045 1 Nb Nb149 1 0.909902 0.440618 0.935991 1 Nb Nb150 1 0.666667 0.333333 0.524948 1 Nb Nb151 1 0.000000 0.000000 0.609431 1 Nb Nb152 1 0.333333 0.666667 0.688122 1 Nb Nb153 1 0.666667 0.333333 0.772445 1 Nb Nb154 1 0.000000 0.000000 0.858582 1 Nb Nb155 1 0.333333 0.666667 0.937895 1 Nb Nb156 1 0.092579 0.628313 0.514811 1 Nb Nb157 1 0.424712 0.280515 0.609168 1 Nb Nb158 1 0.762286 0.952620 0.690336 1 Nb Nb159 1 0.094726 0.619511 0.768800 1 Nb Nb160 1 0.425045 0.270570 0.855783 1 Nb Nb161 1 0.773582 0.965749 0.927314 1 Nb Nb162 1 0.958438 0.190574 0.537632 1 Nb Nb163 1 0.286344 0.854687 0.610281 1 Nb Nb164 1 0.615893 0.521043 0.689571 1 Nb Nb165 1 0.955359 0.193831 0.774430 1 Nb Nb166 1 0.287576 0.859426 0.860045 1 Nb Nb167 1 0.559381 0.469284 0.935991 1