data_[Re8Ru8]
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 [P2_12_12_1]
_cell_length_a [4.6096]
_cell_length_b [6.8014]
_cell_length_c [7.8711]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [ReRu]
_chemical_formula_sum '[Re8 Ru8]'
_cell_volume [246.7685]
_cell_formula_units_Z [8]
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  4  0.0709  0.3293  0.0537  1
  Re  Re1  4  0.2419  0.7178  0.9017  1
  Ru  Ru2  4  0.2440  0.0058  0.6735  1
  Ru  Ru3  4  0.2485  0.3820  0.7288  1
]