data_[Rb1Cu1Bi1Br6]
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
  Bi  2.0200  1.6000  1.0350
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.0133]
_cell_length_b [7.1741]
_cell_length_c [7.6419]
_cell_angle_alpha [92.4737]
_cell_angle_beta [95.2691]
_cell_angle_gamma [114.1836]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [RbCuBiBr6]
_chemical_formula_sum '[Rb1 Cu1 Bi1 Br6]'
_cell_volume [347.8842]
_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  1  0.9622  0.0150  0.9953  1.0
  Cu  Cu1  1  0.6862  0.3545  0.4761  1.0
  Bi  Bi2  1  0.3299  0.6865  0.5079  1.0
  Br  Br3  1  0.3798  0.9739  0.7816  1.0
  Br  Br4  1  0.4028  0.3781  0.2767  1.0
  Br  Br5  1  0.6202  0.0185  0.3226  1.0
  Br  Br6  1  0.6413  0.5755  0.7103  1.0
  Br  Br7  1  0.9792  0.6397  0.2686  1.0
  Br  Br8  1  0.9987  0.3586  0.6608  1.0
]