# generated using pymatgen data_Cr2FeO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.03282646 _cell_length_b 5.99222044 _cell_length_c 6.04040665 _cell_angle_alpha 60.62118004 _cell_angle_beta 60.70208777 _cell_angle_gamma 91.26828348 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr2FeO4 _chemical_formula_sum 'Cr4 Fe2 O8' _cell_volume 155.74937952 _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 Cr Cr0 1 0.99999400 0.99998200 0.50001000 1.0 Cr Cr1 1 0.00000400 0.50000400 0.99999800 1.0 Cr Cr2 1 0.00000500 0.50000400 0.49999800 1.0 Cr Cr3 1 0.49999700 0.50000400 0.00000200 1.0 Fe Fe4 1 0.62532300 0.87521900 0.25005200 1.0 Fe Fe5 1 0.37467800 0.12478000 0.74995500 1.0 O O6 1 0.75855500 0.73034400 0.52868600 1.0 O O7 1 0.23167100 0.25965100 0.02743000 1.0 O O8 1 0.78711800 0.26014500 0.47150400 1.0 O O9 1 0.76006100 0.28879500 0.97082600 1.0 O O10 1 0.24144400 0.26965800 0.47131300 1.0 O O11 1 0.76832700 0.74035300 0.97256400 1.0 O O12 1 0.21288100 0.73985300 0.52849300 1.0 O O13 1 0.23994200 0.71121000 0.02917100 1.0