data_[Tl2Cd1Sn1]
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 [P2/m]
_cell_length_a [3.2438]
_cell_length_b [5.3340]
_cell_length_c [6.6022]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.7010]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Tl2CdSn]
_chemical_formula_sum '[Tl2 Cd1 Sn1]'
_cell_volume [114.1061]
_cell_formula_units_Z [1]
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  0.0848  0.5000  0.2502  1
  Cd  Cd1  1  0.5000  0.0000  0.5000  1
  Sn  Sn2  1  0.5000  0.0000  0.0000  1
]