data_[Tl2Cd2Sn2]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.4049]
_cell_length_b [6.0073]
_cell_length_c [6.1094]
_cell_angle_alpha [71.3071]
_cell_angle_beta [67.7425]
_cell_angle_gamma [75.2629]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [TlCdSn]
_chemical_formula_sum '[Tl2 Cd2 Sn2]'
_cell_volume [171.8870]
_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  1  0.3022  0.8036  0.1320  1.0
  Tl  Tl1  1  0.7397  0.1897  0.9479  1.0
  Cd  Cd2  1  0.2418  0.5330  0.7745  1.0
  Cd  Cd3  1  0.2745  0.1608  0.4966  1.0
  Sn  Sn4  1  0.7608  0.8292  0.5889  1.0
  Sn  Sn5  1  0.8125  0.4320  0.3198  1.0
]