# generated using pymatgen data_Cr2FeNO8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.58702500 _cell_length_b 8.82712400 _cell_length_c 14.78475300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr2FeNO8 _chemical_formula_sum 'Cr8 Fe4 N4 O32' _cell_volume 729.14502267 _cell_formula_units_Z 4 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 0.75000000 0.25788500 0.84025100 1.0 Cr Cr1 1 0.75000000 0.24211500 0.34025100 1.0 Cr Cr2 1 0.25000000 0.74211500 0.15974900 1.0 Cr Cr3 1 0.25000000 0.75788500 0.65974900 1.0 Cr Cr4 1 0.75000000 0.81653600 0.93439800 1.0 Cr Cr5 1 0.75000000 0.68346400 0.43439800 1.0 Cr Cr6 1 0.25000000 0.18346400 0.06560200 1.0 Cr Cr7 1 0.25000000 0.31653600 0.56560200 1.0 Fe Fe8 1 0.25000000 0.00456400 0.84287400 1.0 Fe Fe9 1 0.25000000 0.49543600 0.34287400 1.0 Fe Fe10 1 0.75000000 0.99543600 0.15712600 1.0 Fe Fe11 1 0.75000000 0.50456400 0.65712600 1.0 N N12 1 0.25000000 0.53189200 0.87372700 1.0 N N13 1 0.25000000 0.96810800 0.37372700 1.0 N N14 1 0.75000000 0.46810800 0.12627300 1.0 N N15 1 0.75000000 0.03189200 0.62627300 1.0 O O16 1 0.75000000 0.63994300 0.96201800 1.0 O O17 1 0.75000000 0.86005700 0.46201800 1.0 O O18 1 0.25000000 0.36005700 0.03798200 1.0 O O19 1 0.25000000 0.13994300 0.53798200 1.0 O O20 1 0.25000000 0.78623200 0.55283700 1.0 O O21 1 0.25000000 0.71376800 0.05283700 1.0 O O22 1 0.75000000 0.21376800 0.44716300 1.0 O O23 1 0.75000000 0.28623200 0.94716300 1.0 O O24 1 0.25000000 0.07238000 0.97390700 1.0 O O25 1 0.25000000 0.42762000 0.47390700 1.0 O O26 1 0.75000000 0.92762000 0.02609300 1.0 O O27 1 0.75000000 0.57238000 0.52609300 1.0 O O28 1 0.25000000 0.92562800 0.71452700 1.0 O O29 1 0.25000000 0.57437200 0.21452700 1.0 O O30 1 0.75000000 0.07437200 0.28547300 1.0 O O31 1 0.75000000 0.42562800 0.78547300 1.0 O O32 1 0.99539100 0.15505700 0.81203100 1.0 O O33 1 0.50460900 0.34494300 0.31203100 1.0 O O34 1 0.49539100 0.84494300 0.18796900 1.0 O O35 1 0.00460900 0.65505700 0.68796900 1.0 O O36 1 0.00460900 0.84494300 0.18796900 1.0 O O37 1 0.49539100 0.65505700 0.68796900 1.0 O O38 1 0.50460900 0.15505700 0.81203100 1.0 O O39 1 0.99539100 0.34494300 0.31203100 1.0 O O40 1 0.00545200 0.35307400 0.62976300 1.0 O O41 1 0.49454800 0.14692600 0.12976300 1.0 O O42 1 0.50545200 0.64692600 0.37023700 1.0 O O43 1 0.99454800 0.85307400 0.87023700 1.0 O O44 1 0.99454800 0.64692600 0.37023700 1.0 O O45 1 0.50545200 0.85307400 0.87023700 1.0 O O46 1 0.49454800 0.35307400 0.62976300 1.0 O O47 1 0.00545200 0.14692600 0.12976300 1.0