# generated using pymatgen data_BaNa2V2CuO8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.57934271 _cell_length_b 5.57934271 _cell_length_c 14.19100809 _cell_angle_alpha 87.01604011 _cell_angle_beta 87.01604011 _cell_angle_gamma 63.27402189 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaNa2V2CuO8 _chemical_formula_sum 'Ba2 Na4 V4 Cu2 O16' _cell_volume 393.82107702 _cell_formula_units_Z 2 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 0.87168600 0.12831400 0.75000000 1.0 Ba Ba1 1 0.12831400 0.87168600 0.25000000 1.0 Na Na2 1 0.26051700 0.42148600 0.58869000 1.0 Na Na3 1 0.73948300 0.57851400 0.41131000 1.0 Na Na4 1 0.57851400 0.73948300 0.91131000 1.0 Na Na5 1 0.42148600 0.26051700 0.08869000 1.0 V V6 1 0.58929800 0.76976900 0.62834800 1.0 V V7 1 0.76976900 0.58929800 0.12834800 1.0 V V8 1 0.23023100 0.41070200 0.87165200 1.0 V V9 1 0.41070200 0.23023100 0.37165200 1.0 Cu Cu10 1 0.00000000 0.00000000 0.00000000 1.0 Cu Cu11 1 0.00000000 0.00000000 0.50000000 1.0 O O12 1 0.75782600 0.12828000 0.39311900 1.0 O O13 1 0.87172000 0.24217400 0.10688100 1.0 O O14 1 0.24217400 0.87172000 0.60688100 1.0 O O15 1 0.12828000 0.75782600 0.89311900 1.0 O O16 1 0.30080900 0.99403100 0.41606100 1.0 O O17 1 0.00596900 0.69919100 0.08393900 1.0 O O18 1 0.69919100 0.00596900 0.58393900 1.0 O O19 1 0.99403100 0.30080900 0.91606100 1.0 O O20 1 0.35570800 0.27831700 0.25256200 1.0 O O21 1 0.72168300 0.64429200 0.24743800 1.0 O O22 1 0.64429200 0.72168300 0.74743800 1.0 O O23 1 0.27831700 0.35570800 0.75256200 1.0 O O24 1 0.79083100 0.46905700 0.57705700 1.0 O O25 1 0.53094300 0.20916900 0.92294300 1.0 O O26 1 0.46905700 0.79083100 0.07705700 1.0 O O27 1 0.20916900 0.53094300 0.42294300 1.0