data_[Ag2I2Br2]
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 [P1]
_cell_length_a [4.4737]
_cell_length_b [6.3604]
_cell_length_c [8.1266]
_cell_angle_alpha [70.7265]
_cell_angle_beta [88.1368]
_cell_angle_gamma [84.1343]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [AgIBr]
_chemical_formula_sum '[Ag2 I2 Br2]'
_cell_volume [217.1336]
_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  1  0.0548  0.1701  0.5587  1.0
  Ag  Ag1  1  0.6917  0.8953  0.3047  1.0
  I  I2  1  0.0646  0.2971  0.8616  1.0
  I  I3  1  0.2194  0.8450  0.1013  1.0
  Br  Br4  1  0.5453  0.2945  0.3625  1.0
  Br  Br5  1  0.8882  0.7367  0.6425  1.0
]