data_[Rb6Bi2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Bi  2.0200  1.6000  1.0350
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.1984]
_cell_length_b [8.7743]
_cell_length_c [14.2430]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.2727]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Rb3BiBr6]
_chemical_formula_sum '[Rb6 Bi2 Br12]'
_cell_volume [846.6733]
_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
[
  Rb  Rb0  4  0.2841  0.5768  0.2550  1.0
  Rb  Rb1  2  0.5000  0.0000  0.5000  1.0
  Bi  Bi2  2  0.0000  0.0000  0.0000  1.0
  Br  Br3  4  0.0990  0.5547  0.7270  1.0
  Br  Br4  4  0.2399  0.2253  0.5746  1.0
  Br  Br5  4  0.3410  0.6766  0.5557  1.0
]