data_[Cr26Re6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Re  1.9000  1.3500  0.7125
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.8337]
_cell_length_b [8.2376]
_cell_length_c [8.2759]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Cr13Re3]
_chemical_formula_sum '[Cr26 Re6]'
_cell_volume [397.7064]
_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
[
  Cr  Cr0  8  0.2531  0.2472  0.2505  1
  Cr  Cr1  4  0.0000  0.2443  0.4989  1
  Cr  Cr2  4  0.2536  0.0000  0.4965  1
  Cr  Cr3  4  0.5000  0.2441  0.5000  1
  Cr  Cr4  2  0.0000  0.0000  0.2557  1
  Cr  Cr5  2  0.5000  0.0000  0.2573  1
  Cr  Cr6  2  0.5000  0.0000  0.7439  1
  Re  Re7  4  0.2530  0.0000  0.0037  1
  Re  Re8  2  0.0000  0.0000  0.7431  1
]