data_[Re6Ru6]
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 [10.0019]
_cell_length_b [2.7441]
_cell_length_c [6.4966]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6859]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ReRu]
_chemical_formula_sum '[Re6 Ru6]'
_cell_volume [173.2430]
_cell_formula_units_Z [6]
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  0.0031  0.0000  0.9961  1.0
  Re  Re1  2  0.3305  0.0000  0.6642  1.0
  Re  Re2  2  0.3891  0.0000  0.2819  1.0
  Ru  Ru3  2  0.0559  0.0000  0.6108  1.0
  Ru  Ru4  2  0.1660  0.5000  0.3346  1.0
  Ru  Ru5  2  0.2221  0.5000  0.9458  1.0
]