data_[Rb3Cu1Ag2Br9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Cu  1.9000  1.3500  0.8200
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [7.5650]
_cell_length_b [7.5650]
_cell_length_c [9.2903]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Rb3CuAg2Br9]
_chemical_formula_sum '[Rb3 Cu1 Ag2 Br9]'
_cell_volume [460.4447]
_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
[
  Rb  Rb0  2  0.3333  0.6667  0.3333  1.0
  Rb  Rb1  1  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  1  0.0000  0.0000  0.5000  1.0
  Ag  Ag3  2  0.3333  0.6667  0.8266  1.0
  Br  Br4  6  0.1609  0.3218  0.6594  1.0
  Br  Br5  3  0.0000  0.5000  0.0000  1.0
]