# generated using pymatgen data_Cr2FeNO8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 15.89691600 _cell_length_b 5.62340700 _cell_length_c 8.57263944 _cell_angle_alpha 89.30899636 _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 766.29390204 _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 0.36418100 0.00060400 0.28789000 1.0 Cr Cr1 1 0.86418100 0.99939600 0.71211000 1.0 Cr Cr2 1 0.13264400 0.49707900 0.20850000 1.0 Cr Cr3 1 0.63264400 0.50292100 0.79150000 1.0 Cr Cr4 1 0.16862600 0.98679500 0.61068000 1.0 Cr Cr5 1 0.66862600 0.01320500 0.38932000 1.0 Cr Cr6 1 0.32840800 0.51450500 0.88663900 1.0 Cr Cr7 1 0.82840800 0.48549500 0.11336100 1.0 Fe Fe8 1 0.19664000 0.00929200 0.00897800 1.0 Fe Fe9 1 0.69664000 0.99070800 0.99102200 1.0 Fe Fe10 1 0.30088600 0.49042600 0.48793100 1.0 Fe Fe11 1 0.80088600 0.50957400 0.51206900 1.0 N N12 1 0.95670100 0.98854200 0.24718400 1.0 N N13 1 0.45670100 0.01145800 0.75281600 1.0 N N14 1 0.04683400 0.48612100 0.74796500 1.0 N N15 1 0.54683400 0.51387900 0.25203500 1.0 O O16 1 0.08677200 0.00859300 0.50127400 1.0 O O17 1 0.58677200 0.99140700 0.49872600 1.0 O O18 1 0.41015300 0.49150900 0.99612300 1.0 O O19 1 0.91015300 0.50849100 0.00387700 1.0 O O20 1 0.43660400 0.98608500 0.15795200 1.0 O O21 1 0.93660400 0.01391500 0.84204800 1.0 O O22 1 0.05944200 0.51493900 0.33664900 1.0 O O23 1 0.55944200 0.48506100 0.66335100 1.0 O O24 1 0.27012100 0.00647400 0.20221500 1.0 O O25 1 0.77012100 0.99352600 0.79778500 1.0 O O26 1 0.22622800 0.49059100 0.29633400 1.0 O O27 1 0.72622800 0.50940900 0.70366600 1.0 O O28 1 0.14010000 0.99691400 0.80015100 1.0 O O29 1 0.64010000 0.00308600 0.19984900 1.0 O O30 1 0.35697800 0.50158000 0.69724000 1.0 O O31 1 0.85697800 0.49842000 0.30276000 1.0 O O32 1 0.12798500 0.73881800 0.08874600 1.0 O O33 1 0.62798500 0.26118200 0.91125400 1.0 O O34 1 0.11929600 0.24584800 0.10329500 1.0 O O35 1 0.61929600 0.75415200 0.89670500 1.0 O O36 1 0.37738100 0.25071400 0.39443700 1.0 O O37 1 0.87738100 0.74928600 0.60556300 1.0 O O38 1 0.37027500 0.75740200 0.40639500 1.0 O O39 1 0.87027500 0.24259800 0.59360500 1.0 O O40 1 0.23370600 0.21220900 0.56792800 1.0 O O41 1 0.73370600 0.78779100 0.43207200 1.0 O O42 1 0.21793200 0.72817000 0.57210200 1.0 O O43 1 0.71793200 0.27183000 0.42789800 1.0 O O44 1 0.28029000 0.77550200 0.92362500 1.0 O O45 1 0.78029000 0.22449800 0.07637500 1.0 O O46 1 0.26241800 0.29142200 0.93034100 1.0 O O47 1 0.76241800 0.70857800 0.06965900 1.0