# generated using pymatgen data_Hf20Ni4As5P7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.61249780 _cell_length_b 10.18483052 _cell_length_c 17.16568660 _cell_angle_alpha 90.02959132 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf20Ni4As5P7 _chemical_formula_sum 'Hf20 Ni4 As5 P7' _cell_volume 631.57149258 _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 0.12114400 0.47567142 1.0 Hf Hf1 1 0.75000000 0.87750985 0.51940533 1.0 Hf Hf2 1 0.75000000 0.62017189 0.02277136 1.0 Hf Hf3 1 0.25000000 0.38013267 0.97774058 1.0 Hf Hf4 1 0.25000000 0.06165024 0.07615812 1.0 Hf Hf5 1 0.75000000 0.93794841 0.92442872 1.0 Hf Hf6 1 0.75000000 0.56145574 0.42313379 1.0 Hf Hf7 1 0.25000000 0.43829336 0.57640224 1.0 Hf Hf8 1 0.25000000 0.48585683 0.27028683 1.0 Hf Hf9 1 0.75000000 0.51332211 0.72967032 1.0 Hf Hf10 1 0.75000000 0.98608901 0.22877107 1.0 Hf Hf11 1 0.25000000 0.01342263 0.77455374 1.0 Hf Hf12 1 0.25000000 0.81941235 0.37160007 1.0 Hf Hf13 1 0.75000000 0.18672160 0.62737749 1.0 Hf Hf14 1 0.75000000 0.32011272 0.12751070 1.0 Hf Hf15 1 0.25000000 0.68028128 0.87302106 1.0 Hf Hf16 1 0.25000000 0.75633933 0.16618258 1.0 Hf Hf17 1 0.75000000 0.24381133 0.83445370 1.0 Hf Hf18 1 0.75000000 0.25684607 0.33319112 1.0 Hf Hf19 1 0.25000000 0.73861399 0.66709392 1.0 Ni Ni20 1 0.25000000 0.36758426 0.41620381 1.0 Ni Ni21 1 0.75000000 0.63319238 0.58292844 1.0 Ni Ni22 1 0.75000000 0.86725931 0.08361751 1.0 Ni Ni23 1 0.25000000 0.13317902 0.91719181 1.0 As As24 1 0.25000000 0.98948928 0.61763537 1.0 As As25 1 0.25000000 0.19067966 0.21906414 1.0 As As26 1 0.75000000 0.80877316 0.78085520 1.0 As As27 1 0.75000000 0.69004922 0.28011560 1.0 As As28 1 0.25000000 0.31002852 0.72038322 1.0 P P29 1 0.25000000 0.81164652 0.00965299 1.0 P P30 1 0.75000000 0.18856683 0.99114945 1.0 P P31 1 0.75000000 0.31283158 0.48994759 1.0 P P32 1 0.25000000 0.68709671 0.50874141 1.0 P P33 1 0.25000000 0.51002240 0.11619849 1.0 P P34 1 0.75000000 0.49017930 0.88423577 1.0 P P35 1 0.75000000 0.01028746 0.38265604 1.0