data_[Tl4Cu2Ag2I12]
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 [C2/m]
_cell_length_a [10.6063]
_cell_length_b [11.3062]
_cell_length_c [7.7922]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.2230]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2CuAgI6]
_chemical_formula_sum '[Tl4 Cu2 Ag2 I12]'
_cell_volume [871.0523]
_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  0.1782  0.5000  0.2741  1
  Cu  Cu1  2  0.0000  0.0000  0.5000  1
  Ag  Ag2  2  0.0000  0.0000  0.0000  1
  I  I3  8  0.0002  0.1678  0.2673  1
  I  I4  4  0.1460  0.5000  0.8401  1
]