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 [3.2850]
_cell_length_b [4.7758]
_cell_length_c [10.0878]
_cell_angle_alpha [78.0261]
_cell_angle_beta [85.7502]
_cell_angle_gamma [89.4646]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TlCdGa]
_chemical_formula_sum '[Tl2 Cd2 Ga2]'
_cell_volume [154.3908]
_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  0.2412  0.2090  0.5977  1.0
  Cd  Cd1  2  0.2941  0.6227  0.8404  1.0
  Ga  Ga2  2  0.2220  0.8954  0.1100  1.0
]