data_[Tl4Cd4Ga4]
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]
_cell_length_a [15.8231]
_cell_length_b [5.9628]
_cell_length_c [3.2249]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.4876]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [TlCdGa]
_chemical_formula_sum '[Tl4 Cd4 Ga4]'
_cell_volume [304.2596]
_cell_formula_units_Z [4]
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  4  0.1868  0.6419  0.0290  1.0
  Cd  Cd1  4  0.1217  0.1525  0.5054  1.0
  Ga  Ga2  2  0.0000  0.5212  0.5000  1.0
  Ga  Ga3  2  0.0000  0.8878  0.0000  1.0
]