data_[Tl2Cu2Ag4I8]
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 [Pmn2_1]
_cell_length_a [9.8300]
_cell_length_b [8.0368]
_cell_length_c [7.8678]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [TlCu(AgI2)2]
_chemical_formula_sum '[Tl2 Cu2 Ag4 I8]'
_cell_volume [621.5676]
_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  0.0000  0.1558  0.4915  1.0
  Cu  Cu1  2  0.0000  0.8135  0.0004  1.0
  Ag  Ag2  4  0.2479  0.3327  0.0045  1.0
  I  I3  4  0.2098  0.6625  0.1408  1.0
  I  I4  2  0.0000  0.1398  0.0504  1.0
  I  I5  2  0.0000  0.7672  0.6672  1.0
]