data_[Rb12Tl36Cd6Ga6]
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
  Cd  1.6900  1.5500  1.0900
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.7200]
_cell_length_b [7.7200]
_cell_length_c [42.6568]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Rb2Tl6CdGa]
_chemical_formula_sum '[Rb12 Tl36 Cd6 Ga6]'
_cell_volume [2201.6730]
_cell_formula_units_Z [6]
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  6  0.0000  0.0000  0.1395  1
  Rb  Rb1  6  0.0000  0.0000  0.3099  1
  Tl  Tl2  18  0.0370  0.5185  0.8824  1
  Tl  Tl3  18  0.0513  0.5256  0.7237  1
  Cd  Cd4  3  -0.0000  -0.0000  0.5000  1
  Cd  Cd5  3  0.0000  0.0000  0.0000  1
  Ga  Ga6  6  0.0000  0.0000  0.4143  1
]