data_[Tl1Ag2Sn1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ag  1.9300  1.6000  1.0867
  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 [6.3987]
_cell_length_b [6.5365]
_cell_length_c [8.4819]
_cell_angle_alpha [95.8776]
_cell_angle_beta [96.1143]
_cell_angle_gamma [92.6589]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TlAg2SnCl8]
_chemical_formula_sum '[Tl1 Ag2 Sn1 Cl8]'
_cell_volume [350.2955]
_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
  Ag  Ag1  2  0.4405  0.4446  0.2727  1.0
  Sn  Sn2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  2  0.1853  0.8094  0.7923  1.0
  Cl  Cl4  2  0.2277  0.8549  0.2114  1.0
  Cl  Cl5  2  0.2572  0.3021  0.0057  1.0
  Cl  Cl6  2  0.3067  0.3270  0.5316  1.0
]