data_[Tl2Cd18Ga6]
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 [C2/m]
_cell_length_a [5.8638]
_cell_length_b [14.5012]
_cell_length_c [7.6431]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.7175]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl(Cd3Ga)3]
_chemical_formula_sum '[Tl2 Cd18 Ga6]'
_cell_volume [603.7784]
_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
[
  Tl  Tl0  2  0.0000  0.0000  0.0000  1
  Cd  Cd1  8  0.1011  0.3919  0.2147  1
  Cd  Cd2  8  0.1752  0.1754  0.3506  1
  Cd  Cd3  2  0.0000  0.0000  0.5000  1
  Ga  Ga4  4  0.2500  0.2500  0.0000  1
  Ga  Ga5  2  0.0000  0.5000  0.5000  1
]