data_[Tl4Ag4Cl12]
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 [Cm]
_cell_length_a [14.9167]
_cell_length_b [4.1315]
_cell_length_c [9.8800]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.7717]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TlAgCl3]
_chemical_formula_sum '[Tl4 Ag4 Cl12]'
_cell_volume [598.1573]
_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  2  0.3478  0.0000  0.7556  1.0
  Tl  Tl1  2  0.3582  0.5000  0.2589  1.0
  Ag  Ag2  2  0.0661  0.0000  0.9451  1.0
  Ag  Ag3  2  0.1129  0.0000  0.3446  1.0
  Cl  Cl4  2  0.0185  0.5000  0.3827  1.0
  Cl  Cl5  2  0.1954  0.0000  0.1361  1.0
  Cl  Cl6  2  0.2419  0.5000  0.8101  1.0
  Cl  Cl7  2  0.2797  0.0000  0.5011  1.0
  Cl  Cl8  2  0.4398  0.0000  0.0023  1.0
  Cl  Cl9  2  0.4699  0.5000  0.7091  1.0
]