# generated using pymatgen data_BaCu13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.20709975 _cell_length_b 8.20709913 _cell_length_c 8.20709951 _cell_angle_alpha 59.99999441 _cell_angle_beta 59.99999689 _cell_angle_gamma 59.99999307 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaCu13 _chemical_formula_sum 'Ba2 Cu26' _cell_volume 390.88953285 _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 0.75000000 1.0 Ba Ba1 1 0.25000000 0.25000000 0.25000000 1.0 Cu Cu2 1 0.50000000 0.50000000 0.50000000 1.0 Cu Cu3 1 -0.00000000 0.00000000 -0.00000000 1.0 Cu Cu4 1 0.20599906 0.79400094 0.43491617 1.0 Cu Cu5 1 0.70599906 0.06508383 0.93491617 1.0 Cu Cu6 1 0.93491617 0.29400094 0.70599906 1.0 Cu Cu7 1 0.70599906 0.93491617 0.29400094 1.0 Cu Cu8 1 0.06508383 0.29400094 0.93491617 1.0 Cu Cu9 1 0.06508383 0.93491617 0.70599906 1.0 Cu Cu10 1 0.93491617 0.06508383 0.29400094 1.0 Cu Cu11 1 0.43491617 0.20599906 0.79400094 1.0 Cu Cu12 1 0.79400094 0.43491617 0.20599906 1.0 Cu Cu13 1 0.56508383 0.20599906 0.43491617 1.0 Cu Cu14 1 0.79400094 0.56508383 0.43491617 1.0 Cu Cu15 1 0.56508383 0.79400094 0.20599906 1.0 Cu Cu16 1 0.43491617 0.79400094 0.56508383 1.0 Cu Cu17 1 0.20599906 0.43491617 0.56508383 1.0 Cu Cu18 1 0.20599906 0.56508383 0.79400094 1.0 Cu Cu19 1 0.93491617 0.70599906 0.06508383 1.0 Cu Cu20 1 0.29400094 0.93491617 0.06508383 1.0 Cu Cu21 1 0.29400094 0.70599906 0.93491617 1.0 Cu Cu22 1 0.70599906 0.29400094 0.06508383 1.0 Cu Cu23 1 0.06508383 0.70599906 0.29400094 1.0 Cu Cu24 1 0.29400094 0.06508383 0.70599906 1.0 Cu Cu25 1 0.43491617 0.56508383 0.20599906 1.0 Cu Cu26 1 0.56508383 0.43491617 0.79400094 1.0 Cu Cu27 1 0.79400094 0.20599906 0.56508383 1.0