data_[Ag8I2Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Pmn2_1]
_cell_length_a [9.1053]
_cell_length_b [7.8684]
_cell_length_c [7.4009]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Ag4IBr3]
_chemical_formula_sum '[Ag8 I2 Br6]'
_cell_volume [530.2351]
_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
[
  Ag  Ag0  4  0.2464  0.6628  0.6308  1.0
  Ag  Ag1  2  0.0000  0.1598  0.6161  1.0
  Ag  Ag2  2  0.0000  0.8233  0.1281  1.0
  I  I3  2  0.0000  0.1647  0.0014  1.0
  Br  Br4  4  0.2483  0.3337  0.5033  1.0
  Br  Br5  2  0.0000  0.8265  0.5014  1.0
]