data_[Cu2Ag4I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [14.5077]
_cell_length_b [4.2859]
_cell_length_c [7.5657]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.5734]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cu(AgI2)2]
_chemical_formula_sum '[Cu2 Ag4 I8]'
_cell_volume [437.4708]
_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
[
  Cu  Cu0  2  0.0000  0.0000  0.0000  1
  Ag  Ag1  4  0.2233  0.5000  0.7202  1
  I  I2  4  0.1051  0.0000  0.7913  1
  I  I3  4  0.1363  0.5000  0.2751  1
]