data_[Rb6Tl4Ga2I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Tl  1.6200  1.9000  1.3325
  Ga  1.8100  1.3000  0.7600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [22.3291]
_cell_length_b [5.1280]
_cell_length_c [10.2596]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2262]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb3Tl2GaI6]
_chemical_formula_sum '[Rb6 Tl4 Ga2 I12]'
_cell_volume [1143.6055]
_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  0.1688  0.0000  0.8320  1.0
  Rb  Rb1  2  0.0000  0.5000  0.5000  1.0
  Tl  Tl2  4  0.1647  0.0000  0.3283  1.0
  Ga  Ga3  2  0.0000  0.5000  0.0000  1.0
  I  I4  4  0.0013  0.0000  0.2273  1.0
  I  I5  4  0.1576  0.5000  0.0825  1.0
  I  I6  4  0.1686  0.5000  0.5748  1.0
]