data_[Re20B8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.9584]
_cell_length_b [4.9497]
_cell_length_c [5.4638]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.9429]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Re5B2]
_chemical_formula_sum '[Re20 B8]'
_cell_volume [347.8794]
_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
[
  Re  Re0  8  0.0981  0.0881  0.9291  1.0
  Re  Re1  8  0.2171  0.4071  0.3045  1.0
  Re  Re2  4  0.0000  0.4053  0.2500  1.0
  B  B3  8  0.1119  0.3212  0.5844  1.0
]