# generated using pymatgen data_Ba(Cu5P2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.83688601 _cell_length_b 11.83688601 _cell_length_c 9.54776865 _cell_angle_alpha 87.48596264 _cell_angle_beta 87.48596264 _cell_angle_gamma 18.90899970 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba(Cu5P2)2 _chemical_formula_sum 'Ba2 Cu20 P8' _cell_volume 433.09233370 _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 0.85672400 0.85672400 0.78262800 1.0 Ba Ba1 1 0.14327600 0.14327600 0.21737200 1.0 Cu Cu2 1 0.84911100 0.84911100 0.14764600 1.0 Cu Cu3 1 0.04877800 0.04877800 0.92755100 1.0 Cu Cu4 1 0.72336400 0.72336400 0.43167500 1.0 Cu Cu5 1 0.95122200 0.95122200 0.07244900 1.0 Cu Cu6 1 0.71266000 0.71266000 0.69845200 1.0 Cu Cu7 1 0.83338100 0.83338100 0.42761100 1.0 Cu Cu8 1 0.27663600 0.27663600 0.56832500 1.0 Cu Cu9 1 0.41416300 0.41416300 0.27241300 1.0 Cu Cu10 1 0.47399200 0.47399200 0.88210300 1.0 Cu Cu11 1 0.05712200 0.05712200 0.54794700 1.0 Cu Cu12 1 0.28629800 0.28629800 0.03516200 1.0 Cu Cu13 1 0.15088900 0.15088900 0.85235400 1.0 Cu Cu14 1 0.16661900 0.16661900 0.57238900 1.0 Cu Cu15 1 0.28734000 0.28734000 0.30154800 1.0 Cu Cu16 1 0.53347100 0.53347100 0.38172700 1.0 Cu Cu17 1 0.52600800 0.52600800 0.11789700 1.0 Cu Cu18 1 0.58583700 0.58583700 0.72758700 1.0 Cu Cu19 1 0.46652900 0.46652900 0.61827300 1.0 Cu Cu20 1 0.94287800 0.94287800 0.45205300 1.0 Cu Cu21 1 0.71370200 0.71370200 0.96483800 1.0 P P22 1 0.39241900 0.39241900 0.03669000 1.0 P P23 1 0.37769200 0.37769200 0.50182100 1.0 P P24 1 0.24674500 0.24674500 0.80957600 1.0 P P25 1 0.62230800 0.62230800 0.49817900 1.0 P P26 1 0.60758100 0.60758100 0.96331000 1.0 P P27 1 0.00784300 0.00784300 0.26615200 1.0 P P28 1 0.75325500 0.75325500 0.19042400 1.0 P P29 1 0.99215700 0.99215700 0.73384800 1.0