data_[Rb4Bi2H2Br12]
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
  H  2.2000  0.2500  0.0000
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [8.7864]
_cell_length_b [8.7864]
_cell_length_c [9.3078]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Rb2BiHBr6]
_chemical_formula_sum '[Rb4 Bi2 H2 Br12]'
_cell_volume [718.5738]
_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  0.0000  0.5000  0.2500  1.0
  Bi  Bi1  2  0.0000  0.0000  0.0000  1.0
  H  H2  2  0.0000  0.0000  0.5000  1.0
  Br  Br3  8  0.2283  0.2283  0.0000  1.0
  Br  Br4  4  0.0000  0.0000  0.3174  1.0
]