# generated using pymatgen data_Ba3Cu17AgP6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.17326426 _cell_length_b 9.17326426 _cell_length_c 10.44732272 _cell_angle_alpha 58.27357100 _cell_angle_beta 58.27357100 _cell_angle_gamma 37.15672021 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba3Cu17AgP6 _chemical_formula_sum 'Ba3 Cu17 Ag1 P6' _cell_volume 441.78573637 _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 0.50000000 0.50000000 -0.00000000 1.0 Ba Ba1 1 0.83733819 0.83733819 0.98760610 1.0 Ba Ba2 1 0.16266181 0.16266181 0.01239390 1.0 Cu Cu3 1 0.43996903 0.94443986 0.67546329 1.0 Cu Cu4 1 0.76649900 0.30202522 0.66834073 1.0 Cu Cu5 1 0.12264874 0.58131239 0.66918181 1.0 Cu Cu6 1 0.94443986 0.43996903 0.67546329 1.0 Cu Cu7 1 0.30202522 0.76649900 0.66834073 1.0 Cu Cu8 1 0.58131239 0.12264874 0.66918181 1.0 Cu Cu9 1 0.56003097 0.05556014 0.32453671 1.0 Cu Cu10 1 0.87735126 0.41868761 0.33081819 1.0 Cu Cu11 1 0.23350100 0.69797478 0.33165927 1.0 Cu Cu12 1 0.05556014 0.56003097 0.32453671 1.0 Cu Cu13 1 0.41868761 0.87735126 0.33081819 1.0 Cu Cu14 1 0.69797478 0.23350100 0.33165927 1.0 Cu Cu15 1 0.16933742 0.16933742 0.49963928 1.0 Cu Cu16 1 0.50000000 0.50000000 0.50000000 1.0 Cu Cu17 1 0.83066258 0.83066258 0.50036072 1.0 Cu Cu18 1 0.67438669 0.67438669 0.50230360 1.0 Cu Cu19 1 0.32561331 0.32561331 0.49769640 1.0 Ag Ag20 1 -0.00000000 0.00000000 0.50000000 1.0 P P21 1 0.07005338 0.07005338 0.78735368 1.0 P P22 1 0.40612070 0.40612070 0.78148593 1.0 P P23 1 0.73791577 0.73791577 0.78835151 1.0 P P24 1 0.26208423 0.26208423 0.21164849 1.0 P P25 1 0.59387930 0.59387930 0.21851407 1.0 P P26 1 0.92994662 0.92994662 0.21264632 1.0