# generated using pymatgen data_Zr2Cr9Fe3P7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.33273815 _cell_length_b 9.33273872 _cell_length_c 3.57633232 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999422 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2Cr9Fe3P7 _chemical_formula_sum 'Zr2 Cr9 Fe3 P7' _cell_volume 269.76568988 _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 0.00000000 0.00000000 0.00000000 1.0 Zr Zr1 1 0.33333300 0.66666700 0.50000000 1.0 Cr Cr2 1 0.09728821 0.37617500 0.00000000 1.0 Cr Cr3 1 0.27888779 0.90271179 0.00000000 1.0 Cr Cr4 1 0.62382500 0.72111221 0.00000000 1.0 Cr Cr5 1 0.06378638 0.77121927 0.50000000 1.0 Cr Cr6 1 0.70743388 0.93621362 0.50000000 1.0 Cr Cr7 1 0.22878073 0.29256612 0.50000000 1.0 Cr Cr8 1 0.89429522 0.43409171 0.50000000 1.0 Cr Cr9 1 0.53979749 0.10570478 0.50000000 1.0 Cr Cr10 1 0.56590829 0.46020251 0.50000000 1.0 Fe Fe11 1 0.82757631 0.61271206 0.00000000 1.0 Fe Fe12 1 0.78513675 0.17242369 0.00000000 1.0 Fe Fe13 1 0.38728794 0.21486325 0.00000000 1.0 P P14 1 0.07806766 0.61308840 0.00000000 1.0 P P15 1 0.53502074 0.92193234 0.00000000 1.0 P P16 1 0.38691160 0.46497926 0.00000000 1.0 P P17 1 0.80253295 0.74332324 0.50000000 1.0 P P18 1 0.94079030 0.19746705 0.50000000 1.0 P P19 1 0.25667676 0.05920970 0.50000000 1.0 P P20 1 0.66666700 0.33333300 0.00000000 1.0