data_[Tl2Cd1Pb1]
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
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.6556]
_cell_length_b [3.9845]
_cell_length_c [8.2624]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Tl2CdPb]
_chemical_formula_sum '[Tl2 Cd1 Pb1]'
_cell_volume [120.3491]
_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  1  0.0000  0.0000  0.0023  1.0
  Tl  Tl1  1  0.5000  0.5000  0.2718  1.0
  Cd  Cd2  1  0.0000  0.0000  0.4976  1.0
  Pb  Pb3  1  0.5000  0.5000  0.7284  1.0
]