data_[Tl2Cu2Ag2I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cu  1.9000  1.3500  0.8200
  Ag  1.9300  1.6000  1.0867
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.7107]
_cell_length_b [4.3160]
_cell_length_c [10.1339]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.2314]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TlCuAgI3]
_chemical_formula_sum '[Tl2 Cu2 Ag2 I6]'
_cell_volume [415.0821]
_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  2  0.1828  0.7500  0.2104  1
  Cu  Cu1  2  0.0637  0.7500  0.5672  1
  Ag  Ag2  2  0.3474  0.2500  0.8879  1
  I  I3  2  0.1223  0.7500  0.8425  1
  I  I4  2  0.2101  0.2500  0.5137  1
  I  I5  2  0.4556  0.2500  0.1796  1
]