# generated using pymatgen data_Ba12V4O19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.98237696 _cell_length_b 7.98237696 _cell_length_c 10.43099451 _cell_angle_alpha 89.94698735 _cell_angle_beta 89.94698735 _cell_angle_gamma 98.66478639 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba12V4O19 _chemical_formula_sum 'Ba12 V4 O19' _cell_volume 657.05918901 _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 0.73692300 0.26307700 0.50000000 1.0 Ba Ba1 1 0.25405400 0.74594600 0.00000000 1.0 Ba Ba2 1 0.74594600 0.25405400 0.00000000 1.0 Ba Ba3 1 0.26307700 0.73692300 0.50000000 1.0 Ba Ba4 1 0.57400700 0.57400700 0.24559100 1.0 Ba Ba5 1 0.07100800 0.07100800 0.76205200 1.0 Ba Ba6 1 0.42599300 0.42599300 0.75440900 1.0 Ba Ba7 1 0.92899200 0.92899200 0.23794800 1.0 Ba Ba8 1 0.74720900 0.74720900 0.92725200 1.0 Ba Ba9 1 0.25824800 0.25824800 0.42697500 1.0 Ba Ba10 1 0.25279100 0.25279100 0.07274800 1.0 Ba Ba11 1 0.74175200 0.74175200 0.57302500 1.0 V V12 1 0.50080000 0.00080400 0.25346900 1.0 V V13 1 0.99919600 0.49920000 0.74653100 1.0 V V14 1 0.00080400 0.50080000 0.25346900 1.0 V V15 1 0.49920000 0.99919600 0.74653100 1.0 O O16 1 0.26640700 0.95997200 0.26206400 1.0 O O17 1 0.76472800 0.45956400 0.74790100 1.0 O O18 1 0.54043600 0.23527200 0.25209900 1.0 O O19 1 0.04002800 0.73359300 0.73793600 1.0 O O20 1 0.90747200 0.60586200 0.38839100 1.0 O O21 1 0.40543500 0.09439000 0.88665800 1.0 O O22 1 0.90561000 0.59456500 0.11334200 1.0 O O23 1 0.39413800 0.09252800 0.61160900 1.0 O O24 1 0.23527200 0.54043600 0.25209900 1.0 O O25 1 0.73359300 0.04002800 0.73793600 1.0 O O26 1 0.95997200 0.26640700 0.26206400 1.0 O O27 1 0.45956400 0.76472800 0.74790100 1.0 O O28 1 0.59456500 0.90561000 0.11334200 1.0 O O29 1 0.09252800 0.39413800 0.61160900 1.0 O O30 1 0.60586200 0.90747200 0.38839100 1.0 O O31 1 0.09439000 0.40543500 0.88665800 1.0 O O32 1 0.50000000 0.50000000 0.00000000 1.0 O O33 1 0.00000000 0.00000000 0.00000000 1.0 O O34 1 0.50000000 0.50000000 0.50000000 1.0