# generated using pymatgen data_Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.28493997 _cell_length_b 3.52406100 _cell_length_c 30.22340272 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000077 _cell_angle_gamma 65.71882657 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni _chemical_formula_sum Ni38 _cell_volume 416.01262201 _cell_formula_units_Z 38 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 Ni Ni0 1 0.399888 0.300056 0.724208 1 Ni Ni1 1 0.201516 0.899243 0.671950 1 Ni Ni2 1 0.595047 0.202477 0.906955 1 Ni Ni3 1 0.600285 0.199858 0.646791 1 Ni Ni4 1 0.801144 0.599429 0.698213 1 Ni Ni5 1 0.000000 0.000000 0.750000 1 Ni Ni6 1 0.198856 0.400571 0.801787 1 Ni Ni7 1 0.399715 0.800142 0.853209 1 Ni Ni8 1 0.404953 0.797523 0.593045 1 Ni Ni9 1 0.798484 0.100757 0.828050 1 Ni Ni10 1 0.995754 0.502123 0.879619 1 Ni Ni11 1 0.004246 0.497877 0.620381 1 Ni Ni12 1 0.600112 0.699944 0.775792 1 Ni Ni13 1 0.198856 0.400571 0.198213 1 Ni Ni14 1 0.600112 0.699944 0.224208 1 Ni Ni15 1 0.000000 0.000000 0.250000 1 Ni Ni16 1 0.798484 0.100757 0.171950 1 Ni Ni17 1 0.404953 0.797523 0.406955 1 Ni Ni18 1 0.399715 0.800142 0.146791 1 Ni Ni19 1 0.600285 0.199858 0.353209 1 Ni Ni20 1 0.595047 0.202477 0.093045 1 Ni Ni21 1 0.004246 0.497877 0.379619 1 Ni Ni22 1 0.995754 0.502123 0.120381 1 Ni Ni23 1 0.201516 0.899243 0.328050 1 Ni Ni24 1 0.399888 0.300056 0.275792 1 Ni Ni25 1 0.801144 0.599429 0.301787 1 Ni Ni26 1 0.215214 0.392393 0.457868 1 Ni Ni27 1 0.795946 0.102027 0.429337 1 Ni Ni28 1 0.989413 0.005293 0.500000 1 Ni Ni29 1 0.590799 0.704600 0.500000 1 Ni Ni30 1 0.795946 0.102027 0.570663 1 Ni Ni31 1 0.215214 0.392393 0.542132 1 Ni Ni32 1 0.409201 0.295400 0.000000 1 Ni Ni33 1 0.784786 0.607607 0.042132 1 Ni Ni34 1 0.204054 0.897973 0.070663 1 Ni Ni35 1 0.784786 0.607607 0.957868 1 Ni Ni36 1 0.204054 0.897973 0.929337 1 Ni Ni37 1 0.010587 0.994707 0.000000 1