data_[Gd2Br6]
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 [P2_12_12]
_cell_length_a [7.1591]
_cell_length_b [7.3714]
_cell_length_c [21.7281]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [18]
_chemical_formula_structural [GdBr3]
_chemical_formula_sum '[Gd2 Br6]'
_cell_volume [1146.6513]
_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
[
  Gd  Gd0  2  0.0000  0.5000  0.0350  1
  Br  Br1  4  0.2165  0.8284  0.0323  1
  Br  Br2  2  0.0000  0.5000  0.1548  1
]