data_[Re6Tc8Ru8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  Tc  1.9000  1.3500  0.7417
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [2.7279]
_cell_length_b [3.8749]
_cell_length_c [30.1262]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Re3(TcRu)4]
_chemical_formula_sum '[Re6 Tc8 Ru8]'
_cell_volume [318.4404]
_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
[
  Tc  Tc0  4  0.0000  0.5000  0.0452  1
  Re  Re1  4  0.0000  0.5000  0.1358  1
  Tc  Tc2  4  0.0000  0.5000  0.3166  1
  Re  Re3  2  0.0000  0.5000  0.5000  1
  Ru  Ru4  4  0.0000  0.5000  0.2272  1
  Ru  Ru5  4  0.0000  0.5000  0.4088  1
]