data_[Al6Re33]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Re  1.9000  1.3500  0.7125
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.1367]
_cell_length_b [5.1367]
_cell_length_c [26.6492]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Al2Re11]
_chemical_formula_sum '[Al6 Re33]'
_cell_volume [608.9623]
_cell_formula_units_Z [3]
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
[
  Al  Al0  6  0.0000  0.0000  0.3486  1
  Re  Re1  18  0.0068  0.5034  0.4134  1
  Re  Re2  6  0.0000  0.0000  0.1623  1
  Re  Re3  6  0.0000  0.0000  0.4532  1
  Re  Re4  3  0.0000  0.0000  0.0000  1
]