# generated using pymatgen data_Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.26646811 _cell_length_b 5.54273884 _cell_length_c 25.99555115 _cell_angle_alpha 89.99998758 _cell_angle_beta 89.99999821 _cell_angle_gamma 74.73460789 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni _chemical_formula_sum Ni54 _cell_volume 593.05055122 _cell_formula_units_Z 54 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 0.864469 0.425211 0.458108 1 Ni Ni1 1 0.864469 0.425211 0.541892 1 Ni Ni2 1 0.440060 0.230123 0.500000 1 Ni Ni3 1 0.709085 0.863722 0.435004 1 Ni Ni4 1 0.022934 0.007646 0.500000 1 Ni Ni5 1 0.149478 0.064623 0.411684 1 Ni Ni6 1 0.857462 0.928535 0.340681 1 Ni Ni7 1 0.289512 0.639090 0.451407 1 Ni Ni8 1 0.289512 0.639090 0.548593 1 Ni Ni9 1 0.564736 0.281180 0.604829 1 Ni Ni10 1 0.004693 0.503897 0.625455 1 Ni Ni11 1 0.285696 0.142301 0.678195 1 Ni Ni12 1 0.571727 0.785875 0.731435 1 Ni Ni13 1 0.000000 0.000000 0.750000 1 Ni Ni14 1 0.857462 0.928535 0.659319 1 Ni Ni15 1 0.149478 0.064623 0.588316 1 Ni Ni16 1 0.709085 0.863722 0.564996 1 Ni Ni17 1 0.432967 0.712970 0.359466 1 Ni Ni18 1 0.713502 0.356111 0.304643 1 Ni Ni19 1 0.145071 0.571785 0.285407 1 Ni Ni20 1 0.004693 0.503897 0.374545 1 Ni Ni21 1 0.854929 0.428215 0.214593 1 Ni Ni22 1 0.286498 0.643889 0.804643 1 Ni Ni23 1 0.567033 0.287030 0.859466 1 Ni Ni24 1 0.995307 0.496103 0.874545 1 Ni Ni25 1 0.854929 0.428215 0.785407 1 Ni Ni26 1 0.145071 0.571785 0.714593 1 Ni Ni27 1 0.135531 0.574789 0.041892 1 Ni Ni28 1 0.135531 0.574789 0.958108 1 Ni Ni29 1 0.435264 0.718820 0.104829 1 Ni Ni30 1 0.710488 0.360910 0.048593 1 Ni Ni31 1 0.995307 0.496103 0.125455 1 Ni Ni32 1 0.559940 0.769877 0.000000 1 Ni Ni33 1 0.290915 0.136278 0.935004 1 Ni Ni34 1 0.290915 0.136278 0.064996 1 Ni Ni35 1 0.977066 0.992354 0.000000 1 Ni Ni36 1 0.850522 0.935377 0.911684 1 Ni Ni37 1 0.142538 0.071465 0.840681 1 Ni Ni38 1 0.710488 0.360910 0.951407 1 Ni Ni39 1 0.428273 0.214125 0.231435 1 Ni Ni40 1 0.714304 0.857699 0.178195 1 Ni Ni41 1 0.142538 0.071465 0.159319 1 Ni Ni42 1 0.000000 0.000000 0.250000 1 Ni Ni43 1 0.850522 0.935377 0.088316 1 Ni Ni44 1 0.286498 0.643889 0.195357 1 Ni Ni45 1 0.285696 0.142301 0.321805 1 Ni Ni46 1 0.714304 0.857699 0.821805 1 Ni Ni47 1 0.713502 0.356111 0.695357 1 Ni Ni48 1 0.564736 0.281180 0.395171 1 Ni Ni49 1 0.567033 0.287030 0.140534 1 Ni Ni50 1 0.432967 0.712970 0.640534 1 Ni Ni51 1 0.571727 0.785875 0.268565 1 Ni Ni52 1 0.435264 0.718820 0.895171 1 Ni Ni53 1 0.428273 0.214125 0.768565 1