# generated using pymatgen data_Hf5CuP3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.57824166 _cell_length_b 10.10967670 _cell_length_c 17.09515611 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf5CuP3 _chemical_formula_sum 'Hf20 Cu4 P12' _cell_volume 618.41498720 _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 Hf Hf0 1 0.25000000 0.11972693 0.47751959 1.0 Hf Hf1 1 0.75000000 0.88027307 0.52248041 1.0 Hf Hf2 1 0.75000000 0.61972693 0.02248041 1.0 Hf Hf3 1 0.25000000 0.38027307 0.97751959 1.0 Hf Hf4 1 0.25000000 0.06867406 0.07979409 1.0 Hf Hf5 1 0.75000000 0.93132594 0.92020591 1.0 Hf Hf6 1 0.75000000 0.56867406 0.42020591 1.0 Hf Hf7 1 0.25000000 0.43132594 0.57979409 1.0 Hf Hf8 1 0.25000000 0.49070382 0.27024244 1.0 Hf Hf9 1 0.75000000 0.50929618 0.72975756 1.0 Hf Hf10 1 0.75000000 0.99070382 0.22975756 1.0 Hf Hf11 1 0.25000000 0.00929618 0.77024244 1.0 Hf Hf12 1 0.25000000 0.81692252 0.36904128 1.0 Hf Hf13 1 0.75000000 0.18307748 0.63095872 1.0 Hf Hf14 1 0.75000000 0.31692252 0.13095872 1.0 Hf Hf15 1 0.25000000 0.68307748 0.86904128 1.0 Hf Hf16 1 0.25000000 0.75118853 0.17134714 1.0 Hf Hf17 1 0.75000000 0.24881147 0.82865286 1.0 Hf Hf18 1 0.75000000 0.25118853 0.32865286 1.0 Hf Hf19 1 0.25000000 0.74881147 0.67134714 1.0 Cu Cu20 1 0.25000000 0.37210047 0.41512634 1.0 Cu Cu21 1 0.75000000 0.62789953 0.58487366 1.0 Cu Cu22 1 0.75000000 0.87210047 0.08487366 1.0 Cu Cu23 1 0.25000000 0.12789953 0.91512634 1.0 P P24 1 0.25000000 0.81204221 0.00855140 1.0 P P25 1 0.75000000 0.18795779 0.99144860 1.0 P P26 1 0.75000000 0.31204221 0.49144860 1.0 P P27 1 0.25000000 0.68795779 0.50855140 1.0 P P28 1 0.25000000 0.50883129 0.11591915 1.0 P P29 1 0.75000000 0.49116871 0.88408085 1.0 P P30 1 0.75000000 0.00883129 0.38408085 1.0 P P31 1 0.25000000 0.99116871 0.61591915 1.0 P P32 1 0.25000000 0.19150827 0.21956284 1.0 P P33 1 0.75000000 0.80849173 0.78043716 1.0 P P34 1 0.75000000 0.69150827 0.28043716 1.0 P P35 1 0.25000000 0.30849173 0.71956284 1.0