# generated using pymatgen data_Ba9Cu7Cl2O15 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.97567889 _cell_length_b 10.97567889 _cell_length_c 6.11672500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000537 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba9Cu7Cl2O15 _chemical_formula_sum 'Ba9 Cu7 Cl2 O15' _cell_volume 638.13468250 _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 0.20226200 0.40452300 0.50000000 1.0 Ba Ba1 1 0.50000000 0.50000000 0.00000000 1.0 Ba Ba2 1 0.59547700 0.79773800 0.50000000 1.0 Ba Ba3 1 0.79773800 0.59547700 0.50000000 1.0 Ba Ba4 1 0.40452300 0.20226200 0.50000000 1.0 Ba Ba5 1 0.79773800 0.20226200 0.50000000 1.0 Ba Ba6 1 0.20226200 0.79773800 0.50000000 1.0 Ba Ba7 1 0.00000000 0.50000000 0.00000000 1.0 Ba Ba8 1 0.50000000 0.00000000 0.00000000 1.0 Cu Cu9 1 0.26590900 0.13295400 0.00000000 1.0 Cu Cu10 1 0.86704600 0.13295400 0.00000000 1.0 Cu Cu11 1 0.13295400 0.86704600 0.00000000 1.0 Cu Cu12 1 0.13295400 0.26590900 0.00000000 1.0 Cu Cu13 1 0.73409100 0.86704600 0.00000000 1.0 Cu Cu14 1 0.00000000 0.00000000 0.50000000 1.0 Cu Cu15 1 0.86704600 0.73409100 0.00000000 1.0 Cl Cl16 1 0.66666700 0.33333300 0.00000000 1.0 Cl Cl17 1 0.33333300 0.66666700 0.00000000 1.0 O O18 1 0.26503400 0.26503400 0.20907300 1.0 O O19 1 0.50000000 0.00000000 0.50000000 1.0 O O20 1 0.73496600 0.73496600 0.79092700 1.0 O O21 1 0.26503400 0.00000000 0.79092700 1.0 O O22 1 0.00000000 0.26503400 0.79092700 1.0 O O23 1 0.26503400 0.00000000 0.20907300 1.0 O O24 1 0.73496600 0.73496600 0.20907300 1.0 O O25 1 0.00000000 0.26503400 0.20907300 1.0 O O26 1 0.00000000 0.73496600 0.79092700 1.0 O O27 1 0.00000000 0.50000000 0.50000000 1.0 O O28 1 0.73496600 0.00000000 0.79092700 1.0 O O29 1 0.26503400 0.26503400 0.79092700 1.0 O O30 1 0.00000000 0.73496600 0.20907300 1.0 O O31 1 0.73496600 0.00000000 0.20907300 1.0 O O32 1 0.50000000 0.50000000 0.50000000 1.0