data_[Tl4Cd2Ga4]
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 [P4/mbm]
_cell_length_a [6.9526]
_cell_length_b [6.9526]
_cell_length_c [5.4751]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Tl2CdGa2]
_chemical_formula_sum '[Tl4 Cd2 Ga4]'
_cell_volume [264.6547]
_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  4  0.1785  0.3215  0.5000  1.0
  Cd  Cd1  2  0.0000  0.0000  0.0000  1.0
  Ga  Ga2  4  0.1296  0.6296  0.0000  1.0
]