data_[Cu1Ag1I2Br6]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.2469]
_cell_length_b [7.8674]
_cell_length_c [9.0705]
_cell_angle_alpha [106.3754]
_cell_angle_beta [101.0880]
_cell_angle_gamma [112.4842]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CuAg(IBr3)2]
_chemical_formula_sum '[Cu1 Ag1 I2 Br6]'
_cell_volume [371.8543]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1.0
  Ag  Ag1  1  0.5000  0.0000  0.0000  1.0
  I  I2  2  0.3391  0.4295  0.1846  1.0
  Br  Br3  2  0.1034  0.8002  0.0569  1.0
  Br  Br4  2  0.2032  0.3566  0.5856  1.0
  Br  Br5  2  0.3024  0.9839  0.6936  1.0
]