data_[Re10Tc8Ru2]
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 [C2/m]
_cell_length_a [13.1373]
_cell_length_b [2.7376]
_cell_length_c [8.7393]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4842]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Re5Tc4Ru]
_chemical_formula_sum '[Re10 Tc8 Ru2]'
_cell_volume [296.3045]
_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  0.0856  0.0000  0.2943  1
  Tc  Tc1  4  0.1070  0.5000  0.7977  1
  Re  Re2  4  0.1894  0.0000  0.0834  1
  Re  Re3  4  0.2146  0.0000  0.6116  1
  Re  Re4  2  0.0000  0.5000  0.5000  1
  Ru  Ru5  2  0.0000  0.5000  0.0000  1
]