data_[Rb2Cu2Bi2I12]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [9.0994]
_cell_length_b [11.9738]
_cell_length_c [8.0288]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.7256]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [RbCuBiI6]
_chemical_formula_sum '[Rb2 Cu2 Bi2 I12]'
_cell_volume [842.0266]
_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  0.0000  0.0734  0.5000  1.0
  Cu  Cu1  2  0.0000  0.3219  0.0000  1.0
  Bi  Bi2  2  0.0000  0.6823  0.0000  1.0
  I  I3  4  0.1008  0.4664  0.2457  1.0
  I  I4  4  0.1710  0.8244  0.2945  1.0
  I  I5  4  0.2040  0.1679  0.1289  1.0
]