# generated using pymatgen data_Hf20Cu4(AsP3)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.60703468 _cell_length_b 10.13718987 _cell_length_c 17.18780476 _cell_angle_alpha 90.01815923 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf20Cu4(AsP3)3 _chemical_formula_sum 'Hf20 Cu4 As3 P9' _cell_volume 628.47540884 _cell_formula_units_Z 1 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 0.11919907 0.47678558 1.0 Hf Hf1 1 0.75000000 0.88016383 0.52211787 1.0 Hf Hf2 1 0.75000000 0.61986514 0.02318395 1.0 Hf Hf3 1 0.25000000 0.38031310 0.97842718 1.0 Hf Hf4 1 0.25000000 0.06910416 0.08006556 1.0 Hf Hf5 1 0.75000000 0.93310743 0.92235296 1.0 Hf Hf6 1 0.75000000 0.56644889 0.42171310 1.0 Hf Hf7 1 0.25000000 0.43235261 0.57728104 1.0 Hf Hf8 1 0.25000000 0.48477893 0.26921763 1.0 Hf Hf9 1 0.75000000 0.51382306 0.73055657 1.0 Hf Hf10 1 0.75000000 0.99243730 0.22923784 1.0 Hf Hf11 1 0.25000000 0.01394565 0.76984577 1.0 Hf Hf12 1 0.25000000 0.82033441 0.37149695 1.0 Hf Hf13 1 0.75000000 0.17978001 0.62735550 1.0 Hf Hf14 1 0.75000000 0.31705822 0.13131287 1.0 Hf Hf15 1 0.25000000 0.67972494 0.87255690 1.0 Hf Hf16 1 0.25000000 0.75273176 0.16831424 1.0 Hf Hf17 1 0.75000000 0.24776165 0.83239851 1.0 Hf Hf18 1 0.75000000 0.25113610 0.32845470 1.0 Hf Hf19 1 0.25000000 0.74760610 0.66793154 1.0 Cu Cu20 1 0.25000000 0.37133301 0.41477189 1.0 Cu Cu21 1 0.75000000 0.62739604 0.58402149 1.0 Cu Cu22 1 0.75000000 0.87303829 0.08456234 1.0 Cu Cu23 1 0.25000000 0.12772483 0.91671760 1.0 As As24 1 0.75000000 0.80783399 0.78004662 1.0 As As25 1 0.75000000 0.69162028 0.27972535 1.0 As As26 1 0.25000000 0.30780636 0.72009231 1.0 P P27 1 0.25000000 0.81250854 0.00884598 1.0 P P28 1 0.75000000 0.18851396 0.99256938 1.0 P P29 1 0.75000000 0.31136672 0.49043202 1.0 P P30 1 0.25000000 0.68779106 0.50792929 1.0 P P31 1 0.25000000 0.50899409 0.11601160 1.0 P P32 1 0.75000000 0.49015616 0.88507120 1.0 P P33 1 0.75000000 0.00972697 0.38375204 1.0 P P34 1 0.25000000 0.99014257 0.61535999 1.0 P P35 1 0.25000000 0.19237577 0.21948564 1.0