data_[Re10Ru2]
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 [Cm]
_cell_length_a [10.1270]
_cell_length_b [2.7683]
_cell_length_c [6.5495]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.1889]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Re5Ru]
_chemical_formula_sum '[Re10 Ru2]'
_cell_volume [178.0073]
_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  2  0.0003  0.0000  0.9987  1.0
  Re  Re1  2  0.0578  0.0000  0.6136  1.0
  Re  Re2  2  0.1674  0.5000  0.3310  1.0
  Re  Re3  2  0.3316  0.0000  0.6685  1.0
  Re  Re4  2  0.3878  0.0000  0.2792  1.0
  Ru  Ru5  2  0.2217  0.5000  0.9424  1.0
]