data_[Re8Ru22]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [9.3664]
_cell_length_b [9.3664]
_cell_length_c [4.9250]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [Re4Ru11]
_chemical_formula_sum '[Re8 Ru22]'
_cell_volume [432.0626]
_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
[
  Re  Re0  8  0.1818  0.8182  0.2501  1
  Ru  Ru1  8  0.0449  0.3685  0.0000  1
  Ru  Ru2  8  0.0663  0.2642  0.5000  1
  Ru  Ru3  4  0.0958  0.0958  0.0000  1
  Ru  Ru4  2  0.0000  0.0000  0.5000  1
]