data_[Tl2Cd2Ga2]
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 [P-1]
_cell_length_a [3.4955]
_cell_length_b [4.6359]
_cell_length_c [9.5839]
_cell_angle_alpha [100.2279]
_cell_angle_beta [92.4505]
_cell_angle_gamma [90.1095]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TlCdGa]
_chemical_formula_sum '[Tl2 Cd2 Ga2]'
_cell_volume [152.6900]
_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  0.2582  0.2857  0.5959  1
  Cd  Cd1  2  0.2057  0.8766  0.8394  1
  Ga  Ga2  2  0.2774  0.6081  0.1128  1
]