data_[Tl2Sn2Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Sn  1.9600  1.4500  0.8300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.9966]
_cell_length_b [8.0903]
_cell_length_c [5.7192]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.7396]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TlSnCl3]
_chemical_formula_sum '[Tl2 Sn2 Cl6]'
_cell_volume [368.7393]
_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  0.0690  0.0000  0.8911  1.0
  Sn  Sn1  2  0.4898  0.0000  0.5185  1.0
  Cl  Cl2  4  0.2443  0.2298  0.5462  1.0
  Cl  Cl3  2  0.4546  0.0000  0.0577  1.0
]