# generated using pymatgen data_BaCu9Sn4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.83019560 _cell_length_b 8.83019560 _cell_length_c 8.83019560 _cell_angle_alpha 120.73478645 _cell_angle_beta 120.73478645 _cell_angle_gamma 88.73195546 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaCu9Sn4 _chemical_formula_sum 'Ba2 Cu18 Sn8' _cell_volume 481.31591643 _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 0.75000000 0.75000000 0.00000000 1.0 Ba Ba1 1 0.25000000 0.25000000 0.00000000 1.0 Cu Cu2 1 0.43464400 0.93464400 0.71720900 1.0 Cu Cu3 1 0.21743500 0.71743500 0.28279100 1.0 Cu Cu4 1 0.93464400 0.21743500 0.50000000 1.0 Cu Cu5 1 0.71743500 0.43464400 0.50000000 1.0 Cu Cu6 1 0.56535600 0.06535600 0.28279100 1.0 Cu Cu7 1 0.78256500 0.28256500 0.71720900 1.0 Cu Cu8 1 0.06535600 0.78256500 0.50000000 1.0 Cu Cu9 1 0.28256500 0.56535600 0.50000000 1.0 Cu Cu10 1 0.05613600 0.20360200 0.25973800 1.0 Cu Cu11 1 0.94386400 0.79639800 0.74026200 1.0 Cu Cu12 1 0.55613600 0.29639800 0.85253400 1.0 Cu Cu13 1 0.44386400 0.70360200 0.14746600 1.0 Cu Cu14 1 0.79639800 0.05613600 0.85253400 1.0 Cu Cu15 1 0.20360200 0.94386400 0.14746600 1.0 Cu Cu16 1 0.70360200 0.55613600 0.25973800 1.0 Cu Cu17 1 0.29639800 0.44386400 0.74026200 1.0 Cu Cu18 1 0.00000000 0.50000000 0.50000000 1.0 Cu Cu19 1 0.50000000 0.00000000 0.50000000 1.0 Sn Sn20 1 0.05931400 0.55931400 0.86747900 1.0 Sn Sn21 1 0.69183500 0.19183500 0.13252100 1.0 Sn Sn22 1 0.55931400 0.69183500 0.50000000 1.0 Sn Sn23 1 0.19183500 0.05931400 0.50000000 1.0 Sn Sn24 1 0.94068600 0.44068600 0.13252100 1.0 Sn Sn25 1 0.30816500 0.80816500 0.86747900 1.0 Sn Sn26 1 0.44068600 0.30816500 0.50000000 1.0 Sn Sn27 1 0.80816500 0.94068600 0.50000000 1.0