data_[Al26Re4]
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 [P4_2/mnm]
_cell_length_a [9.7086]
_cell_length_b [9.7086]
_cell_length_c [4.9101]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [Al13Re2]
_chemical_formula_sum '[Al26 Re4]'
_cell_volume [462.8065]
_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  8  0.0376  0.6331  0.5000  1
  Al  Al1  8  0.0694  0.7395  0.0000  1
  Al  Al2  8  0.1766  0.1766  0.2521  1
  Al  Al3  2  0.0000  0.0000  0.0000  1
  Re  Re4  4  0.1079  0.8921  0.5000  1
]