# generated using pymatgen data_Hf3Zr2Fe19P12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.82895611 _cell_length_b 11.82895761 _cell_length_c 3.58328502 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000432 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf3Zr2Fe19P12 _chemical_formula_sum 'Hf3 Zr2 Fe19 P12' _cell_volume 434.21504114 _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 0.81948580 0.00000000 0.00000000 1.0 Hf Hf1 1 0.00000000 0.81948580 0.00000000 1.0 Hf Hf2 1 0.18051420 0.18051420 0.00000000 1.0 Zr Zr3 1 0.33333300 0.66666700 0.50000000 1.0 Zr Zr4 1 0.66666700 0.33333300 0.50000000 1.0 Fe Fe5 1 0.62412435 0.80523089 0.50000000 1.0 Fe Fe6 1 0.19476911 0.81889447 0.50000000 1.0 Fe Fe7 1 0.18110553 0.37587565 0.50000000 1.0 Fe Fe8 1 0.37587565 0.18110553 0.50000000 1.0 Fe Fe9 1 0.80523089 0.62412435 0.50000000 1.0 Fe Fe10 1 0.81889447 0.19476911 0.50000000 1.0 Fe Fe11 1 0.28448610 0.00000000 0.00000000 1.0 Fe Fe12 1 0.00000000 0.28448610 0.00000000 1.0 Fe Fe13 1 0.71551390 0.71551390 0.00000000 1.0 Fe Fe14 1 0.43666454 1.00000000 0.50000000 1.0 Fe Fe15 1 0.00000000 0.43666454 0.50000000 1.0 Fe Fe16 1 0.56333546 0.56333546 0.50000000 1.0 Fe Fe17 1 0.51388479 0.87862176 0.00000000 1.0 Fe Fe18 1 0.12137824 0.63526403 0.00000000 1.0 Fe Fe19 1 0.36473597 0.48611521 0.00000000 1.0 Fe Fe20 1 0.48611521 0.36473597 0.00000000 1.0 Fe Fe21 1 0.87862176 0.51388479 0.00000000 1.0 Fe Fe22 1 0.63526403 0.12137824 0.00000000 1.0 Fe Fe23 1 0.00000000 0.00000000 0.50000000 1.0 P P24 1 0.18168578 0.00000000 0.50000000 1.0 P P25 1 0.00000000 0.18168578 0.50000000 1.0 P P26 1 0.81831422 0.81831422 0.50000000 1.0 P P27 1 0.52097005 0.69380295 0.00000000 1.0 P P28 1 0.30619705 0.82716710 0.00000000 1.0 P P29 1 0.17283290 0.47902995 0.00000000 1.0 P P30 1 0.47902995 0.17283290 0.00000000 1.0 P P31 1 0.69380295 0.52097005 0.00000000 1.0 P P32 1 0.82716710 0.30619705 0.00000000 1.0 P P33 1 0.64259340 0.00000000 0.50000000 1.0 P P34 1 0.00000000 0.64259340 0.50000000 1.0 P P35 1 0.35740660 0.35740660 0.50000000 1.0