data_[Tl4In2Ag2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  Ag  1.9300  1.6000  1.0867
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.2767]
_cell_length_b [7.4882]
_cell_length_c [12.6250]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.9107]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Tl2InAgCl6]
_chemical_formula_sum '[Tl4 In2 Ag2 Cl12]'
_cell_volume [564.1355]
_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  0.2663  0.0615  0.2507  1
  In  In1  2  0.0000  0.0000  0.5000  1
  Ag  Ag2  2  0.5000  0.0000  0.0000  1
  Cl  Cl3  4  0.1684  0.0110  0.7428  1
  Cl  Cl4  4  0.2294  0.7180  0.5356  1
  Cl  Cl5  4  0.3209  0.1957  0.5369  1
]