data_[Tl2Cd2]
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
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.3504]
_cell_length_b [5.8793]
_cell_length_c [6.3150]
_cell_angle_alpha [68.9266]
_cell_angle_beta [76.6800]
_cell_angle_gamma [88.4420]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TlCd]
_chemical_formula_sum '[Tl2 Cd2]'
_cell_volume [112.7390]
_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  0.1144  0.8191  0.7840  1.0
  Cd  Cd1  2  0.3516  0.6644  0.2910  1.0
]