data_[Tl16Cd4Sn2]
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 [C2/m]
_cell_length_a [13.4555]
_cell_length_b [9.8542]
_cell_length_c [5.6322]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.8521]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl8Cd2Sn]
_chemical_formula_sum '[Tl16 Cd4 Sn2]'
_cell_volume [721.8321]
_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  8  0.0772  0.2717  0.7905  1
  Tl  Tl1  4  0.1130  0.5000  0.3064  1
  Tl  Tl2  4  0.2438  0.0000  0.1046  1
  Cd  Cd3  4  0.1293  0.0000  0.5330  1
  Sn  Sn4  2  0.0000  0.0000  0.0000  1
]