data_[Yb4I8Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Yb  1.1000  1.7500  1.0840
  I  2.6600  1.4000  1.2733
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [7.7270]
_cell_length_b [10.2395]
_cell_length_c [7.9111]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [YbI2Br]
_chemical_formula_sum '[Yb4 I8 Br4]'
_cell_volume [625.9328]
_cell_formula_units_Z [4]
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
[
  Yb  Yb0  4  0.2359  0.0000  0.0153  1
  I  I1  4  0.5000  0.1726  0.8103  1
  I  I2  2  0.0000  0.0000  0.6925  1
  I  I3  2  0.5000  0.0000  0.3228  1
  Br  Br4  4  0.0000  0.1734  0.1668  1
]