data_[Tl1Cr1Sn2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cr  1.6600  1.4000  0.9400
  Sn  1.9600  1.4500  0.8300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.2132]
_cell_length_b [7.3501]
_cell_length_c [8.5888]
_cell_angle_alpha [103.1897]
_cell_angle_beta [104.3786]
_cell_angle_gamma [90.1343]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TlCr(SnCl4)2]
_chemical_formula_sum '[Tl1 Cr1 Sn2 Cl8]'
_cell_volume [369.1925]
_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  0.5000  1.0
  Cr  Cr1  1  0.0000  0.0000  0.0000  1.0
  Sn  Sn2  2  0.4745  0.3904  0.2343  1.0
  Cl  Cl3  2  0.1655  0.7225  0.8956  1.0
  Cl  Cl4  2  0.2001  0.1810  0.8850  1.0
  Cl  Cl5  2  0.2606  0.6229  0.4799  1.0
  Cl  Cl6  2  0.2995  0.0663  0.2467  1.0
]