data_[Rb2Bi2B2Se8]
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
  B  2.0400  0.8500  0.4100
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.9934]
_cell_length_b [5.9830]
_cell_length_c [9.9824]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5761]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbBiBSe4]
_chemical_formula_sum '[Rb2 Bi2 B2 Se8]'
_cell_volume [406.0067]
_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  2  0.2671  0.7500  0.0456  1.0
  Bi  Bi1  2  0.2651  0.7500  0.5650  1.0
  B  B2  2  0.2271  0.2500  0.3251  1.0
  Se  Se3  4  0.0093  0.0055  0.2745  1.0
  Se  Se4  2  0.3684  0.2500  0.5317  1.0
  Se  Se5  2  0.4284  0.2500  0.2023  1.0
]