# generated using pymatgen data_Hf3P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.28788370 _cell_length_b 10.65926963 _cell_length_c 10.65926963 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf3P _chemical_formula_sum 'Hf24 P8' _cell_volume 600.80949960 _cell_formula_units_Z 8 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 0.71800056 0.16534410 0.64279726 1.0 Hf Hf1 1 0.21800056 0.35720274 0.66534410 1.0 Hf Hf2 1 0.21800056 0.14279726 0.83465590 1.0 Hf Hf3 1 0.71800056 0.33465590 0.85720274 1.0 Hf Hf4 1 0.28199944 0.83465590 0.35720274 1.0 Hf Hf5 1 0.78199944 0.64279726 0.33465590 1.0 Hf Hf6 1 0.78199944 0.85720274 0.16534410 1.0 Hf Hf7 1 0.28199944 0.66534410 0.14279726 1.0 Hf Hf8 1 0.52943933 0.11190949 0.27749813 1.0 Hf Hf9 1 0.02943933 0.72250187 0.61190949 1.0 Hf Hf10 1 0.02943933 0.77749813 0.88809051 1.0 Hf Hf11 1 0.52943933 0.38809051 0.22250187 1.0 Hf Hf12 1 0.47056067 0.88809051 0.72250187 1.0 Hf Hf13 1 0.97056067 0.27749813 0.38809051 1.0 Hf Hf14 1 0.97056067 0.22250187 0.11190949 1.0 Hf Hf15 1 0.47056067 0.61190949 0.77749813 1.0 Hf Hf16 1 0.23855933 0.06876307 0.53425069 1.0 Hf Hf17 1 0.73855933 0.46574931 0.56876307 1.0 Hf Hf18 1 0.73855933 0.03425069 0.93123693 1.0 Hf Hf19 1 0.23855933 0.43123693 0.96574931 1.0 Hf Hf20 1 0.76144067 0.93123693 0.46574931 1.0 Hf Hf21 1 0.26144067 0.53425069 0.43123693 1.0 Hf Hf22 1 0.26144067 0.96574931 0.06876307 1.0 Hf Hf23 1 0.76144067 0.56876307 0.03425069 1.0 P P24 1 0.03640571 0.04446962 0.29054248 1.0 P P25 1 0.53640571 0.70945752 0.54446962 1.0 P P26 1 0.53640571 0.79054248 0.95553038 1.0 P P27 1 0.03640571 0.45553038 0.20945752 1.0 P P28 1 0.96359429 0.95553038 0.70945752 1.0 P P29 1 0.46359429 0.29054248 0.45553038 1.0 P P30 1 0.46359429 0.20945752 0.04446962 1.0 P P31 1 0.96359429 0.54446962 0.79054248 1.0