data_[Tl3Cd36Ga18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [13.1581]
_cell_length_b [13.1581]
_cell_length_c [9.1207]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tl(Cd2Ga)6]
_chemical_formula_sum '[Tl3 Cd36 Ga18]'
_cell_volume [1367.5539]
_cell_formula_units_Z [3]
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
[
  Tl  Tl0  3  0.0000  0.0000  0.0000  1.0
  Cd  Cd1  18  0.0000  0.3852  0.5000  1.0
  Cd  Cd2  18  0.0801  0.1601  0.2891  1.0
  Ga  Ga3  18  0.0594  0.5297  0.2330  1.0
]