# generated using pymatgen data_Zr5Fe19P12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.84490424 _cell_length_b 11.84490511 _cell_length_c 3.60460279 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000325 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr5Fe19P12 _chemical_formula_sum 'Zr5 Fe19 P12' _cell_volume 437.97686659 _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 Zr Zr0 1 0.33333300 0.66666700 0.50000000 1.0 Zr Zr1 1 0.66666700 0.33333300 0.50000000 1.0 Zr Zr2 1 0.81778011 1.00000000 0.00000000 1.0 Zr Zr3 1 1.00000000 0.81778011 0.00000000 1.0 Zr Zr4 1 0.18221989 0.18221989 0.00000000 1.0 Fe Fe5 1 0.62249658 0.80401366 0.50000000 1.0 Fe Fe6 1 0.19598634 0.81848292 0.50000000 1.0 Fe Fe7 1 0.18151708 0.37750342 0.50000000 1.0 Fe Fe8 1 0.37750342 0.18151708 0.50000000 1.0 Fe Fe9 1 0.80401366 0.62249658 0.50000000 1.0 Fe Fe10 1 0.81848292 0.19598634 0.50000000 1.0 Fe Fe11 1 0.28582853 1.00000000 0.00000000 1.0 Fe Fe12 1 1.00000000 0.28582853 0.00000000 1.0 Fe Fe13 1 0.71417147 0.71417147 0.00000000 1.0 Fe Fe14 1 0.43561774 0.00000000 0.50000000 1.0 Fe Fe15 1 0.00000000 0.43561774 0.50000000 1.0 Fe Fe16 1 0.56438226 0.56438226 0.50000000 1.0 Fe Fe17 1 0.51325070 0.87875786 0.00000000 1.0 Fe Fe18 1 0.12124214 0.63449383 0.00000000 1.0 Fe Fe19 1 0.36550617 0.48674930 0.00000000 1.0 Fe Fe20 1 0.48674930 0.36550617 0.00000000 1.0 Fe Fe21 1 0.87875786 0.51325070 0.00000000 1.0 Fe Fe22 1 0.63449383 0.12124214 0.00000000 1.0 Fe Fe23 1 0.00000000 0.00000000 0.50000000 1.0 P P24 1 0.18316551 1.00000000 0.50000000 1.0 P P25 1 1.00000000 0.18316551 0.50000000 1.0 P P26 1 0.81683449 0.81683449 0.50000000 1.0 P P27 1 0.52064731 0.69445399 0.00000000 1.0 P P28 1 0.30554601 0.82619331 0.00000000 1.0 P P29 1 0.17380669 0.47935269 0.00000000 1.0 P P30 1 0.47935269 0.17380669 0.00000000 1.0 P P31 1 0.69445399 0.52064731 0.00000000 1.0 P P32 1 0.82619331 0.30554601 0.00000000 1.0 P P33 1 0.64043878 1.00000000 0.50000000 1.0 P P34 1 1.00000000 0.64043878 0.50000000 1.0 P P35 1 0.35956122 0.35956122 0.50000000 1.0