data_[Re8Ru4]
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 [C2/c]
_cell_length_a [8.3209]
_cell_length_b [4.7888]
_cell_length_c [5.2046]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.9703]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Re2Ru]
_chemical_formula_sum '[Re8 Ru4]'
_cell_volume [175.9320]
_cell_formula_units_Z [4]
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  0.1643  0.4166  0.7373  1.0
  Ru  Ru1  4  0.0000  0.0803  0.2500  1.0
]