data_[Tl8Cu4Sn4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cu  1.9000  1.3500  0.8200
  Sn  1.9600  1.4500  0.8300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.1568]
_cell_length_b [18.3104]
_cell_length_c [13.8674]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tl2CuSnCl5]
_chemical_formula_sum '[Tl8 Cu4 Sn4 Cl20]'
_cell_volume [1055.4907]
_cell_formula_units_Z [4]
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  0.0000  0.1006  0.6777  1.0
  Tl  Tl1  4  0.0000  0.1284  0.3392  1.0
  Cu  Cu2  4  0.0000  0.4605  0.4217  1.0
  Sn  Sn3  4  0.0000  0.1856  0.0398  1.0
  Cl  Cl4  4  0.0000  0.0117  0.9936  1.0
  Cl  Cl5  4  0.0000  0.2891  0.6785  1.0
  Cl  Cl6  4  0.0000  0.3269  0.0113  1.0
  Cl  Cl7  4  0.0000  0.3273  0.3971  1.0
  Cl  Cl8  4  0.0000  0.4924  0.7651  1.0
]