data_[Gd8Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Gd  1.2000  1.8000  1.0750
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.5840]
_cell_length_b [4.0159]
_cell_length_c [10.8722]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.0184]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Gd2Br3]
_chemical_formula_sum '[Gd8 Br12]'
_cell_volume [633.1888]
_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
[
  Gd  Gd0  4  0.0828  0.5000  0.9519  1.0
  Gd  Gd1  4  0.1340  0.0000  0.2870  1.0
  Br  Br2  4  0.0477  0.0000  0.7306  1.0
  Br  Br3  4  0.1595  0.5000  0.5121  1.0
  Br  Br4  4  0.2291  0.0000  0.1190  1.0
]