# generated using pymatgen data_BaCu9Si4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.25774206 _cell_length_b 8.25774206 _cell_length_c 8.25774206 _cell_angle_alpha 120.27927229 _cell_angle_beta 120.27927229 _cell_angle_gamma 89.51696302 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaCu9Si4 _chemical_formula_sum 'Ba2 Cu18 Si8' _cell_volume 396.47434553 _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 0.43579400 0.70484700 0.14064100 1.0 Cu Cu3 1 0.70484700 0.56420600 0.26905300 1.0 Cu Cu4 1 0.29515300 0.43579400 0.73094700 1.0 Cu Cu5 1 0.93579400 0.79515300 0.73094700 1.0 Cu Cu6 1 0.56420600 0.29515300 0.85935900 1.0 Cu Cu7 1 0.30451400 0.55947100 0.50000000 1.0 Cu Cu8 1 0.05947100 0.80451400 0.50000000 1.0 Cu Cu9 1 0.69548600 0.44052900 0.50000000 1.0 Cu Cu10 1 0.94052900 0.19548600 0.50000000 1.0 Cu Cu11 1 0.44052900 0.94052900 0.74504300 1.0 Cu Cu12 1 0.19548600 0.69548600 0.25495700 1.0 Cu Cu13 1 0.55947100 0.05947100 0.25495700 1.0 Cu Cu14 1 0.20484700 0.93579400 0.14064100 1.0 Cu Cu15 1 0.06420600 0.20484700 0.26905300 1.0 Cu Cu16 1 0.00000000 0.50000000 0.50000000 1.0 Cu Cu17 1 0.50000000 0.00000000 0.50000000 1.0 Cu Cu18 1 0.80451400 0.30451400 0.74504300 1.0 Cu Cu19 1 0.79515300 0.06420600 0.85935900 1.0 Si Si20 1 0.29054400 0.79054400 0.85071900 1.0 Si Si21 1 0.06017500 0.56017500 0.85071900 1.0 Si Si22 1 0.56017500 0.70945600 0.50000000 1.0 Si Si23 1 0.79054400 0.93982500 0.50000000 1.0 Si Si24 1 0.43982500 0.29054400 0.50000000 1.0 Si Si25 1 0.93982500 0.43982500 0.14928100 1.0 Si Si26 1 0.70945600 0.20945600 0.14928100 1.0 Si Si27 1 0.20945600 0.06017500 0.50000000 1.0