# generated using pymatgen data_BaMg2V6(Cu4O13)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.08011100 _cell_length_b 8.40952600 _cell_length_c 10.89325836 _cell_angle_alpha 81.85508629 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaMg2V6(Cu4O13)2 _chemical_formula_sum 'Ba1 Mg2 V6 Cu8 O26' _cell_volume 551.36324846 _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 Ba Ba0 1 0.00000000 0.48604400 0.91150300 1.0 Mg Mg1 1 0.00000000 0.19019600 0.15091400 1.0 Mg Mg2 1 0.50000000 0.80319700 0.86576700 1.0 V V3 1 0.00000000 0.53094500 0.28832700 1.0 V V4 1 0.50000000 0.46868400 0.70767900 1.0 V V5 1 0.00000000 0.87180900 0.99767600 1.0 V V6 1 0.50000000 0.13762700 0.00208200 1.0 V V7 1 0.00000000 0.82104200 0.62554300 1.0 V V8 1 0.50000000 0.18127700 0.37271700 1.0 Cu Cu9 1 0.75049300 0.10536900 0.73012500 1.0 Cu Cu10 1 0.25033500 0.89359200 0.27073900 1.0 Cu Cu11 1 0.74966500 0.89359200 0.27073900 1.0 Cu Cu12 1 0.24950700 0.10536900 0.73012500 1.0 Cu Cu13 1 0.00000000 0.39833400 0.60120300 1.0 Cu Cu14 1 0.50000000 0.60186100 0.38772300 1.0 Cu Cu15 1 0.00000000 0.14310900 0.44118800 1.0 Cu Cu16 1 0.50000000 0.85617700 0.55773300 1.0 O O17 1 0.00000000 0.15687600 0.62049700 1.0 O O18 1 0.50000000 0.84195500 0.37845900 1.0 O O19 1 0.00000000 0.61679400 0.63328100 1.0 O O20 1 0.50000000 0.38069500 0.37579800 1.0 O O21 1 0.00000000 0.38228700 0.42309000 1.0 O O22 1 0.50000000 0.61495600 0.57365300 1.0 O O23 1 0.00000000 0.90790100 0.47141800 1.0 O O24 1 0.50000000 0.09159800 0.52687600 1.0 O O25 1 0.00000000 0.03517600 0.88792900 1.0 O O26 1 0.50000000 0.97188900 0.10914700 1.0 O O27 1 0.00000000 0.93888900 0.15926500 1.0 O O28 1 0.50000000 0.05999000 0.84291500 1.0 O O29 1 0.77178000 0.66129000 0.28140300 1.0 O O30 1 0.26448400 0.34174600 0.72378700 1.0 O O31 1 0.73551600 0.34174600 0.72378700 1.0 O O32 1 0.22822000 0.66129000 0.28140300 1.0 O O33 1 0.77639300 0.75584600 0.97038700 1.0 O O34 1 0.26077500 0.24171500 0.02358600 1.0 O O35 1 0.73922500 0.24171500 0.02358600 1.0 O O36 1 0.22360700 0.75584600 0.97038700 1.0 O O37 1 0.00000000 0.42880700 0.16387600 1.0 O O38 1 0.50000000 0.57085200 0.83187700 1.0 O O39 1 0.75255500 0.12356000 0.29984000 1.0 O O40 1 0.25043400 0.87589900 0.69966300 1.0 O O41 1 0.74956600 0.87589900 0.69966300 1.0 O O42 1 0.24744500 0.12356000 0.29984000 1.0