data_[Ag6I2Br4]
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 [Pnc2]
_cell_length_a [20.2502]
_cell_length_b [6.9405]
_cell_length_c [7.5467]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [30]
_chemical_formula_structural [Ag3IBr2]
_chemical_formula_sum '[Ag6 I2 Br4]'
_cell_volume [1060.6721]
_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  0.4198  0.6923  0.8810  1
  Ag  Ag1  2  0.5000  0.0000  0.6827  1
  I  I2  2  0.5000  0.0000  0.1246  1
  Br  Br3  4  0.3704  0.5238  0.1662  1
]