data_[Cu4Ag2I6]
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 [P2_1/m]
_cell_length_a [8.0917]
_cell_length_b [4.2409]
_cell_length_c [11.4768]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8948]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Cu2AgI3]
_chemical_formula_sum '[Cu4 Ag2 I6]'
_cell_volume [374.7900]
_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  0.0223  0.2500  0.9308  1
  Cu  Cu1  2  0.4347  0.7500  0.4275  1
  Ag  Ag2  2  0.2080  0.2500  0.1865  1
  I  I3  2  0.0793  0.7500  0.3163  1
  I  I4  2  0.2526  0.7500  0.9871  1
  I  I5  2  0.4320  0.7500  0.6568  1
]