# generated using pymatgen data_Mg3Fe2O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.42976703 _cell_length_b 5.11775447 _cell_length_c 9.14156058 _cell_angle_alpha 106.27448533 _cell_angle_beta 90.00194793 _cell_angle_gamma 89.98905533 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg3Fe2O7 _chemical_formula_sum 'Mg6 Fe4 O14' _cell_volume 243.84880016 _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 Mg Mg0 1 0.68213800 0.76467400 0.99969000 1.0 Mg Mg1 1 0.18214700 0.23534200 0.00035300 1.0 Mg Mg2 1 0.83013200 0.56623200 0.61581600 1.0 Mg Mg3 1 0.33017900 0.43379600 0.38417300 1.0 Mg Mg4 1 0.83004700 0.95030300 0.38418700 1.0 Mg Mg5 1 0.33009100 0.04967000 0.61579800 1.0 Fe Fe6 1 0.75233300 0.35496900 0.20907700 1.0 Fe Fe7 1 0.25235500 0.64505100 0.79091200 1.0 Fe Fe8 1 0.25237000 0.85377500 0.20888700 1.0 Fe Fe9 1 0.75243800 0.14623900 0.79111300 1.0 O O10 1 0.70104000 0.92325400 0.58829900 1.0 O O11 1 0.20099700 0.07692100 0.41175300 1.0 O O12 1 0.20106400 0.66534600 0.58813100 1.0 O O13 1 0.70107800 0.33471300 0.41180800 1.0 O O14 1 0.05800100 0.31647900 0.73160600 1.0 O O15 1 0.55807100 0.68344100 0.26838200 1.0 O O16 1 0.55845000 0.41600900 0.73218000 1.0 O O17 1 0.05836400 0.58393200 0.26784100 1.0 O O18 1 0.92264900 0.86003900 0.84371000 1.0 O O19 1 0.42270300 0.13999600 0.15629900 1.0 O O20 1 0.80902000 0.38013500 0.99992600 1.0 O O21 1 0.30906700 0.61974800 0.00008700 1.0 O O22 1 0.92266500 0.01561500 0.15620100 1.0 O O23 1 0.42260700 0.98432200 0.84377300 1.0