data_[Tl6Ag2Cl8]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [9.2902]
_cell_length_b [9.5987]
_cell_length_c [6.3941]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Tl3AgCl4]
_chemical_formula_sum '[Tl6 Ag2 Cl8]'
_cell_volume [570.1911]
_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  0.2066  0.3470  0.9357  1.0
  Tl  Tl1  2  0.0000  0.0920  0.4377  1.0
  Ag  Ag2  2  0.0000  0.7951  0.9750  1.0
  Cl  Cl3  4  0.2493  0.3222  0.4268  1.0
  Cl  Cl4  2  0.0000  0.0658  0.9336  1.0
  Cl  Cl5  2  0.0000  0.7644  0.4135  1.0
]