# generated using pymatgen data_Hf3Cr(Ni4P3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.98280704 _cell_length_b 11.95832706 _cell_length_c 3.61014175 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.93245032 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf3Cr(Ni4P3)2 _chemical_formula_sum 'Hf6 Cr2 Ni16 P12' _cell_volume 448.31068621 _cell_formula_units_Z 2 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 Hf Hf0 1 0.81959631 0.81962813 0.50000000 1.0 Hf Hf1 1 0.00000000 0.17527110 0.50000000 1.0 Hf Hf2 1 0.33548339 0.66800114 0.00000000 1.0 Hf Hf3 1 0.66451661 0.33251774 0.00000000 1.0 Hf Hf4 1 0.00000000 0.55507091 0.00000000 1.0 Hf Hf5 1 0.18040369 0.00003283 0.50000000 1.0 Cr Cr6 1 0.44706429 0.44724044 0.00000000 1.0 Cr Cr7 1 0.55293571 0.00017715 0.00000000 1.0 Ni Ni8 1 0.62625499 0.81797732 0.00000000 1.0 Ni Ni9 1 0.37374501 0.19172234 0.00000000 1.0 Ni Ni10 1 0.00000000 0.72452201 0.50000000 1.0 Ni Ni11 1 0.27972785 0.27990697 0.50000000 1.0 Ni Ni12 1 0.86985249 0.35051441 0.50000000 1.0 Ni Ni13 1 0.72027215 0.00017812 0.50000000 1.0 Ni Ni14 1 0.81616344 0.62945574 0.00000000 1.0 Ni Ni15 1 0.18383656 0.81329230 0.00000000 1.0 Ni Ni16 1 0.35865630 0.87510220 0.50000000 1.0 Ni Ni17 1 0.13014751 0.48065992 0.50000000 1.0 Ni Ni18 1 0.64134370 0.51644591 0.50000000 1.0 Ni Ni19 1 0.00000000 0.00023119 0.00000000 1.0 Ni Ni20 1 0.51588659 0.64646347 0.50000000 1.0 Ni Ni21 1 0.48411341 0.13057688 0.50000000 1.0 Ni Ni22 1 0.19508025 0.37421671 0.00000000 1.0 Ni Ni23 1 0.80491975 0.17913645 0.00000000 1.0 P P24 1 1.00000000 0.34595798 0.00000000 1.0 P P25 1 0.82523022 0.51326526 0.50000000 1.0 P P26 1 0.68116593 0.16497767 0.50000000 1.0 P P27 1 0.17768063 0.17572082 0.00000000 1.0 P P28 1 0.64026980 0.64234842 0.00000000 1.0 P P29 1 0.82231937 0.99804019 0.00000000 1.0 P P30 1 0.51812489 0.83584238 0.50000000 1.0 P P31 1 0.17476978 0.68803404 0.50000000 1.0 P P32 1 0.35973020 0.00207962 0.00000000 1.0 P P33 1 0.48187511 0.31771849 0.50000000 1.0 P P34 1 1.00000000 0.82386501 0.00000000 1.0 P P35 1 0.31883407 0.48380874 0.50000000 1.0