data_[Pr8Re4B8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Re  1.9000  1.3500  0.7125
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.9425]
_cell_length_b [5.4607]
_cell_length_c [10.7778]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Pr2ReB2]
_chemical_formula_sum '[Pr8 Re4 B8]'
_cell_volume [408.5951]
_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
[
  Pr  Pr0  4  0.0171  0.7500  0.2256  1
  Pr  Pr1  4  0.2054  0.7500  0.5445  1
  Re  Re2  4  0.2303  0.7500  0.8555  1
  B  B3  4  0.0329  0.2500  0.2433  1
  B  B4  4  0.1966  0.2500  0.5357  1
]