data_[Re4Tc8Ru12]
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 [12.6041]
_cell_length_b [4.3440]
_cell_length_c [7.2899]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.9203]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ReTc2Ru3]
_chemical_formula_sum '[Re4 Tc8 Ru12]'
_cell_volume [355.8821]
_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
[
  Tc  Tc0  4  0.0372  0.5000  0.2124  1
  Re  Re1  4  0.1132  0.0000  0.0698  1
  Tc  Tc2  4  0.1850  0.0000  0.4799  1
  Ru  Ru3  4  0.0479  0.0000  0.6773  1
  Ru  Ru4  4  0.1601  0.5000  0.6765  1
  Ru  Ru5  4  0.2188  0.5000  0.0846  1
]