data_[Tl6Cd8Sn4]
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 [12.7801]
_cell_length_b [4.6466]
_cell_length_c [9.6903]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.3955]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl3(Cd2Sn)2]
_chemical_formula_sum '[Tl6 Cd8 Sn4]'
_cell_volume [510.9124]
_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  4  0.1382  0.5000  0.6946  1
  Tl  Tl1  2  0.0000  0.0000  0.0000  1
  Cd  Cd2  4  0.0471  0.0000  0.3818  1
  Cd  Cd3  4  0.1960  0.5000  0.0490  1
  Sn  Sn4  4  0.1813  0.5000  0.3540  1
]