# generated using pymatgen data_Mn2Cr3O12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.08557400 _cell_length_b 8.75306100 _cell_length_c 14.94985733 _cell_angle_alpha 56.40367962 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2Cr3O12 _chemical_formula_sum 'Mn8 Cr12 O48' _cell_volume 990.31154007 _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 Mn Mn0 1 0.97043200 0.36798900 0.88470600 1.0 Mn Mn1 1 0.47043200 0.63201100 0.61529400 1.0 Mn Mn2 1 0.03218700 0.87017700 0.38234600 1.0 Mn Mn3 1 0.53218700 0.12982300 0.11765400 1.0 Mn Mn4 1 0.46781300 0.87017700 0.88234600 1.0 Mn Mn5 1 0.96781300 0.12982300 0.61765400 1.0 Mn Mn6 1 0.52956800 0.36798900 0.38470600 1.0 Mn Mn7 1 0.02956800 0.63201100 0.11529400 1.0 Cr Cr8 1 0.75010200 0.55262300 0.49002800 1.0 Cr Cr9 1 0.62416100 0.25794300 0.85498300 1.0 Cr Cr10 1 0.88624700 0.96760300 0.14661200 1.0 Cr Cr11 1 0.12416100 0.74205700 0.64501700 1.0 Cr Cr12 1 0.38624700 0.03239700 0.35338800 1.0 Cr Cr13 1 0.25010200 0.44737700 0.00997200 1.0 Cr Cr14 1 0.74989800 0.55262300 0.99002800 1.0 Cr Cr15 1 0.61375300 0.96760300 0.64661200 1.0 Cr Cr16 1 0.87583900 0.25794300 0.35498300 1.0 Cr Cr17 1 0.11375300 0.03239700 0.85338800 1.0 Cr Cr18 1 0.37583900 0.74205700 0.14501700 1.0 Cr Cr19 1 0.24989800 0.44737700 0.50997200 1.0 O O20 1 0.12883000 0.61174700 0.44806100 1.0 O O21 1 0.10629300 0.17012000 0.89775900 1.0 O O22 1 0.33391900 0.46044200 0.60563800 1.0 O O23 1 0.42447900 0.87530700 0.18491900 1.0 O O24 1 0.63124100 0.52583500 0.58379000 1.0 O O25 1 0.81021200 0.28268600 0.84149600 1.0 O O26 1 0.57789000 0.15221000 0.98506700 1.0 O O27 1 0.00063400 0.88056800 0.25234200 1.0 O O28 1 0.71467200 0.98226400 0.18166800 1.0 O O29 1 0.83553100 0.75452600 0.43439900 1.0 O O30 1 0.53857800 0.45592500 0.78129800 1.0 O O31 1 0.03857800 0.54407500 0.71870200 1.0 O O32 1 0.93875600 0.17619400 0.05211400 1.0 O O33 1 0.43875600 0.82380600 0.44788600 1.0 O O34 1 0.33553100 0.24547400 0.06560100 1.0 O O35 1 0.21467200 0.01773600 0.31833200 1.0 O O36 1 0.07789000 0.84779000 0.51493300 1.0 O O37 1 0.50063400 0.11943200 0.24765800 1.0 O O38 1 0.31021200 0.71731400 0.65850400 1.0 O O39 1 0.13124100 0.47416500 0.91621000 1.0 O O40 1 0.83391900 0.53955800 0.89436200 1.0 O O41 1 0.60629300 0.82988000 0.60224100 1.0 O O42 1 0.92447900 0.12469300 0.31508100 1.0 O O43 1 0.62883000 0.38825300 0.05193900 1.0 O O44 1 0.37117000 0.61174700 0.94806100 1.0 O O45 1 0.07552100 0.87530700 0.68491900 1.0 O O46 1 0.39370700 0.17012000 0.39775900 1.0 O O47 1 0.16608100 0.46044200 0.10563800 1.0 O O48 1 0.86875900 0.52583500 0.08379000 1.0 O O49 1 0.68978800 0.28268600 0.34149600 1.0 O O50 1 0.49936600 0.88056800 0.75234200 1.0 O O51 1 0.92211000 0.15221000 0.48506700 1.0 O O52 1 0.78532800 0.98226400 0.68166800 1.0 O O53 1 0.66446900 0.75452600 0.93439900 1.0 O O54 1 0.56124400 0.17619400 0.55211400 1.0 O O55 1 0.06124400 0.82380600 0.94788600 1.0 O O56 1 0.96142200 0.45592500 0.28129800 1.0 O O57 1 0.46142200 0.54407500 0.21870200 1.0 O O58 1 0.16446900 0.24547400 0.56560100 1.0 O O59 1 0.28532800 0.01773600 0.81833200 1.0 O O60 1 0.99936600 0.11943200 0.74765800 1.0 O O61 1 0.42211000 0.84779000 0.01493300 1.0 O O62 1 0.18978800 0.71731400 0.15850400 1.0 O O63 1 0.36875900 0.47416500 0.41621000 1.0 O O64 1 0.57552100 0.12469300 0.81508100 1.0 O O65 1 0.66608100 0.53955800 0.39436200 1.0 O O66 1 0.89370700 0.82988000 0.10224100 1.0 O O67 1 0.87117000 0.38825300 0.55193900 1.0