data_[Rb4Cu4Br8]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pna2_1]
_cell_length_a [7.4006]
_cell_length_b [10.5400]
_cell_length_c [6.7541]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [33]
_chemical_formula_structural [RbCuBr2]
_chemical_formula_sum '[Rb4 Cu4 Br8]'
_cell_volume [526.8369]
_cell_formula_units_Z [4]
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  4  0.1524  0.6286  0.4850  1.0
  Cu  Cu1  4  0.0313  0.8661  0.9989  1.0
  Br  Br2  4  0.0861  0.9323  0.6560  1.0
  Br  Br3  4  0.1487  0.3130  0.6099  1.0
]