# generated using pymatgen data_Hf5Fe19P12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.77708136 _cell_length_b 11.77708195 _cell_length_c 3.57763270 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000402 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf5Fe19P12 _chemical_formula_sum 'Hf5 Fe19 P12' _cell_volume 429.73600035 _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 0.33333300 0.66666700 0.50000000 1.0 Hf Hf1 1 0.66666700 0.33333300 0.50000000 1.0 Hf Hf2 1 0.81613838 0.00000000 0.00000000 1.0 Hf Hf3 1 0.00000000 0.81613838 0.00000000 1.0 Hf Hf4 1 0.18386162 0.18386162 0.00000000 1.0 Fe Fe5 1 0.62317084 0.80466401 0.50000000 1.0 Fe Fe6 1 0.19533599 0.81850683 0.50000000 1.0 Fe Fe7 1 0.18149317 0.37682916 0.50000000 1.0 Fe Fe8 1 0.37682916 0.18149317 0.50000000 1.0 Fe Fe9 1 0.80466401 0.62317084 0.50000000 1.0 Fe Fe10 1 0.81850683 0.19533599 0.50000000 1.0 Fe Fe11 1 0.28476469 1.00000000 0.00000000 1.0 Fe Fe12 1 1.00000000 0.28476469 0.00000000 1.0 Fe Fe13 1 0.71523531 0.71523531 0.00000000 1.0 Fe Fe14 1 0.43692826 0.00000000 0.50000000 1.0 Fe Fe15 1 0.00000000 0.43692826 0.50000000 1.0 Fe Fe16 1 0.56307174 0.56307174 0.50000000 1.0 Fe Fe17 1 0.51286834 0.87801086 0.00000000 1.0 Fe Fe18 1 0.12198914 0.63485848 0.00000000 1.0 Fe Fe19 1 0.36514152 0.48713166 0.00000000 1.0 Fe Fe20 1 0.48713166 0.36514152 0.00000000 1.0 Fe Fe21 1 0.87801086 0.51286834 0.00000000 1.0 Fe Fe22 1 0.63485848 0.12198914 0.00000000 1.0 Fe Fe23 1 0.00000000 0.00000000 0.50000000 1.0 P P24 1 0.18171159 1.00000000 0.50000000 1.0 P P25 1 1.00000000 0.18171159 0.50000000 1.0 P P26 1 0.81828841 0.81828841 0.50000000 1.0 P P27 1 0.51946183 0.69347985 0.00000000 1.0 P P28 1 0.30652015 0.82598197 0.00000000 1.0 P P29 1 0.17401803 0.48053817 0.00000000 1.0 P P30 1 0.48053817 0.17401803 0.00000000 1.0 P P31 1 0.69347985 0.51946183 0.00000000 1.0 P P32 1 0.82598197 0.30652015 0.00000000 1.0 P P33 1 0.64064675 1.00000000 0.50000000 1.0 P P34 1 1.00000000 0.64064675 0.50000000 1.0 P P35 1 0.35935325 0.35935325 0.50000000 1.0