# generated using pymatgen data_MnV4CuO12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.82970231 _cell_length_b 6.82970231 _cell_length_c 6.03684126 _cell_angle_alpha 76.53578945 _cell_angle_beta 76.53578945 _cell_angle_gamma 84.28900882 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnV4CuO12 _chemical_formula_sum 'Mn1 V4 Cu1 O12' _cell_volume 266.01599461 _cell_formula_units_Z 1 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 0.08437200 0.91562800 0.50000000 1.0 V V1 1 0.79096800 0.61166000 0.01538600 1.0 V V2 1 0.61007000 0.78589100 0.52054400 1.0 V V3 1 0.38834000 0.20903200 0.98461400 1.0 V V4 1 0.21410900 0.38993000 0.47945600 1.0 Cu Cu5 1 0.91200100 0.08799900 0.00000000 1.0 O O6 1 0.95776900 0.80415100 0.90525800 1.0 O O7 1 0.90809800 0.37956200 0.03318700 1.0 O O8 1 0.79475700 0.95609600 0.42669300 1.0 O O9 1 0.63630600 0.64080400 0.80496300 1.0 O O10 1 0.62043800 0.09190200 0.96681300 1.0 O O11 1 0.64947600 0.63921300 0.29931000 1.0 O O12 1 0.35919600 0.36369400 0.19503700 1.0 O O13 1 0.37896400 0.90540300 0.53802300 1.0 O O14 1 0.36078700 0.35052400 0.70069000 1.0 O O15 1 0.19584900 0.04223100 0.09474200 1.0 O O16 1 0.09459700 0.62103600 0.46197700 1.0 O O17 1 0.04390400 0.20524300 0.57330700 1.0