data_[Rb6Bi2I12]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.7744]
_cell_length_b [9.4285]
_cell_length_c [14.9123]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.5763]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Rb3BiI6]
_chemical_formula_sum '[Rb6 Bi2 I12]'
_cell_volume [1027.8497]
_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  0.2941  0.0828  0.7608  1
  Rb  Rb1  2  0.5000  0.0000  0.5000  1
  Bi  Bi2  2  0.0000  0.0000  0.0000  1
  I  I3  4  0.0909  0.0601  0.2298  1
  I  I4  4  0.2417  0.7262  0.0801  1
  I  I5  4  0.3415  0.1766  0.0556  1
]