# generated using pymatgen data_K2BaV2ClO7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.90223796 _cell_length_b 5.90223796 _cell_length_c 15.40027700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999954 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2BaV2ClO7 _chemical_formula_sum 'K4 Ba2 V4 Cl2 O14' _cell_volume 464.61432501 _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 K K0 1 0.33333300 0.66666700 0.54576900 1.0 K K1 1 0.66666700 0.33333300 0.45423100 1.0 K K2 1 0.66666700 0.33333300 0.04576900 1.0 K K3 1 0.33333300 0.66666700 0.95423100 1.0 Ba Ba4 1 0.33333300 0.66666700 0.25000000 1.0 Ba Ba5 1 0.66666700 0.33333300 0.75000000 1.0 V V6 1 0.00000000 0.00000000 0.13170400 1.0 V V7 1 0.00000000 0.00000000 0.86829600 1.0 V V8 1 0.00000000 0.00000000 0.63170400 1.0 V V9 1 0.00000000 0.00000000 0.36829600 1.0 Cl Cl10 1 0.33333300 0.66666700 0.75000000 1.0 Cl Cl11 1 0.66666700 0.33333300 0.25000000 1.0 O O12 1 0.00000000 0.00000000 0.25000000 1.0 O O13 1 0.00000000 0.00000000 0.75000000 1.0 O O14 1 0.15892300 0.31784600 0.09638700 1.0 O O15 1 0.84107700 0.68215400 0.90361300 1.0 O O16 1 0.68215400 0.84107700 0.09638700 1.0 O O17 1 0.84107700 0.68215400 0.59638700 1.0 O O18 1 0.31784600 0.15892300 0.90361300 1.0 O O19 1 0.15892300 0.31784600 0.40361300 1.0 O O20 1 0.15892300 0.84107700 0.09638700 1.0 O O21 1 0.31784600 0.15892300 0.59638700 1.0 O O22 1 0.84107700 0.15892300 0.90361300 1.0 O O23 1 0.68215400 0.84107700 0.40361300 1.0 O O24 1 0.84107700 0.15892300 0.59638700 1.0 O O25 1 0.15892300 0.84107700 0.40361300 1.0