data_[Gd2Si2I1Br1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Gd  1.2000  1.8000  1.0750
  Si  1.9000  1.1000  0.5400
  I  2.6600  1.4000  1.2733
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.1039]
_cell_length_b [4.1039]
_cell_length_c [11.7344]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Gd2Si2IBr]
_chemical_formula_sum '[Gd2 Si2 I1 Br1]'
_cell_volume [171.1540]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.1595  1
  Gd  Gd1  1  0.0000  0.0000  0.8333  1
  Si  Si2  1  0.3333  0.6667  0.9892  1
  Si  Si3  1  0.6667  0.3333  0.0041  1
  I  I4  1  0.3333  0.6667  0.3365  1
  Br  Br5  1  0.6667  0.3333  0.6774  1
]