# generated using pymatgen data_YHf(NiP)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.72903667 _cell_length_b 10.11185589 _cell_length_c 12.18788130 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YHf(NiP)3 _chemical_formula_sum 'Y4 Hf4 Ni12 P12' _cell_volume 459.57430739 _cell_formula_units_Z 4 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 Y Y0 1 0.25000000 0.07067803 0.20743720 1.0 Y Y1 1 0.75000000 0.92932197 0.79256280 1.0 Y Y2 1 0.75000000 0.57067803 0.29256280 1.0 Y Y3 1 0.25000000 0.42932197 0.70743720 1.0 Hf Hf4 1 0.25000000 0.16039679 0.49771683 1.0 Hf Hf5 1 0.75000000 0.83960321 0.50228317 1.0 Hf Hf6 1 0.75000000 0.66039679 0.00228317 1.0 Hf Hf7 1 0.25000000 0.33960321 0.99771683 1.0 Ni Ni8 1 0.25000000 0.72793963 0.66447584 1.0 Ni Ni9 1 0.75000000 0.27206037 0.33552416 1.0 Ni Ni10 1 0.75000000 0.22793963 0.83552416 1.0 Ni Ni11 1 0.25000000 0.77206037 0.16447584 1.0 Ni Ni12 1 0.25000000 0.36588761 0.21787957 1.0 Ni Ni13 1 0.75000000 0.63411239 0.78212043 1.0 Ni Ni14 1 0.75000000 0.86588761 0.28212043 1.0 Ni Ni15 1 0.25000000 0.13411239 0.71787957 1.0 Ni Ni16 1 0.25000000 0.59793689 0.48381766 1.0 Ni Ni17 1 0.75000000 0.40206311 0.51618234 1.0 Ni Ni18 1 0.75000000 0.09793689 0.01618234 1.0 Ni Ni19 1 0.25000000 0.90206311 0.98381766 1.0 P P20 1 0.25000000 0.94419625 0.62116052 1.0 P P21 1 0.75000000 0.05580375 0.37883948 1.0 P P22 1 0.75000000 0.44419625 0.87883948 1.0 P P23 1 0.25000000 0.55580375 0.12116052 1.0 P P24 1 0.25000000 0.39333593 0.40229037 1.0 P P25 1 0.75000000 0.60666407 0.59770963 1.0 P P26 1 0.75000000 0.89333593 0.09770963 1.0 P P27 1 0.25000000 0.10666407 0.90229037 1.0 P P28 1 0.25000000 0.77087056 0.35498396 1.0 P P29 1 0.75000000 0.22912944 0.64501604 1.0 P P30 1 0.75000000 0.27087056 0.14501604 1.0 P P31 1 0.25000000 0.72912944 0.85498396 1.0