# generated using pymatgen data_LaFeReO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.60159300 _cell_length_b 5.53210200 _cell_length_c 9.56142024 _cell_angle_alpha 55.13412958 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaFeReO6 _chemical_formula_sum 'La2 Fe2 Re2 O12' _cell_volume 243.10773337 _cell_formula_units_Z 2 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 La La0 1 0.29798000 0.23678100 0.75382700 1.0 La La1 1 0.70202000 0.23678100 0.25382700 1.0 Fe Fe2 1 0.75508700 0.99694200 0.00073900 1.0 Fe Fe3 1 0.24491300 0.99694200 0.50073900 1.0 Re Re4 1 0.76074100 0.49917100 0.50047600 1.0 Re Re5 1 0.23925900 0.49917100 0.00047600 1.0 O O6 1 0.25885600 0.31154400 0.23745800 1.0 O O7 1 0.46228300 0.21648000 0.02542200 1.0 O O8 1 0.49109900 0.74242800 0.47236400 1.0 O O9 1 0.50890100 0.74242800 0.97236400 1.0 O O10 1 0.53771700 0.21648000 0.52542200 1.0 O O11 1 0.74114400 0.31154400 0.73745800 1.0 O O12 1 0.75971400 0.65954400 0.26269000 1.0 O O13 1 0.94977000 0.81003400 0.46170900 1.0 O O14 1 0.97099800 0.26686600 0.03512600 1.0 O O15 1 0.02900200 0.26686600 0.53512600 1.0 O O16 1 0.05023000 0.81003400 0.96170900 1.0 O O17 1 0.24028600 0.65954400 0.76269000 1.0