data_[Ge2I2Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ge  2.0100  1.2500  0.7700
  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 [9.6574]
_cell_length_b [7.1470]
_cell_length_c [7.0673]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [GeIBr3]
_chemical_formula_sum '[Ge2 I2 Br6]'
_cell_volume [487.7978]
_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
[
  Ge  Ge0  2  0.0000  0.3263  0.2280  1.0
  I  I1  2  0.0000  0.6692  0.1479  1.0
  Br  Br2  4  0.1914  0.1773  0.1000  1.0
  Br  Br3  2  0.0000  0.2762  0.5488  1.0
]