data_[Al10Re2]
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 [C2/m]
_cell_length_a [9.2742]
_cell_length_b [3.5299]
_cell_length_c [5.7865]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8704]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Al5Re]
_chemical_formula_sum '[Al10 Re2]'
_cell_volume [181.2800]
_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
[
  Al  Al0  4  0.1574  0.0000  0.8285  1.0
  Al  Al1  4  0.1695  0.0000  0.3330  1.0
  Al  Al2  2  0.0000  0.5000  0.0000  1.0
  Re  Re3  2  0.0000  0.5000  0.5000  1.0
]