data_[Rb6Tl2Ga4I12]
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 [22.0778]
_cell_length_b [5.0603]
_cell_length_c [10.1381]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4143]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb3Tl(GaI3)2]
_chemical_formula_sum '[Rb6 Tl2 Ga4 I12]'
_cell_volume [1101.7366]
_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  0.1644  0.0000  0.8338  1.0
  Rb  Rb1  2  0.0000  0.5000  0.5000  1.0
  Tl  Tl2  2  0.0000  0.5000  0.0000  1.0
  Ga  Ga3  4  0.1704  0.0000  0.3372  1.0
  I  I4  4  0.0081  0.0000  0.2481  1.0
  I  I5  4  0.1662  0.5000  0.1057  1.0
  I  I6  4  0.1742  0.5000  0.5677  1.0
]