data_[Gd4Re4B16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Gd  1.2000  1.8000  1.0750
  Re  1.9000  1.3500  0.7125
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [5.9909]
_cell_length_b [11.5918]
_cell_length_c [3.6265]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [GdReB4]
_chemical_formula_sum '[Gd4 Re4 B16]'
_cell_volume [251.8448]
_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  0.1260  0.1506  0.0000  1
  Re  Re1  4  0.1321  0.4133  0.0000  1
  B  B2  4  0.0231  0.6916  0.5000  1
  B  B3  4  0.1136  0.5470  0.5000  1
  B  B4  4  0.1371  0.9683  0.5000  1
  B  B5  4  0.2135  0.8156  0.5000  1
]