data_[Tl8Ag2I10]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [I4]
_cell_length_a [10.8480]
_cell_length_b [10.8480]
_cell_length_c [7.0349]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [79]
_chemical_formula_structural [Tl4AgI5]
_chemical_formula_sum '[Tl8 Ag2 I10]'
_cell_volume [827.8598]
_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  8  0.0907  0.3034  0.4970  1.0
  Ag  Ag1  2  0.0000  0.0000  0.0675  1.0
  I  I2  8  0.0961  0.2650  0.9935  1.0
  I  I3  2  0.0000  0.0000  0.4809  1.0
]