data_[Re16Tc8Ru12]
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/c]
_cell_length_a [12.6299]
_cell_length_b [9.2354]
_cell_length_c [4.6564]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.9853]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Re4Tc2Ru3]
_chemical_formula_sum '[Re16 Tc8 Ru12]'
_cell_volume [536.4754]
_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
[
  Re  Re0  8  0.0639  0.1059  0.5392  1
  Re  Re1  8  0.1041  0.3946  0.7970  1
  Tc  Tc2  8  0.2297  0.3946  0.3691  1
  Ru  Ru3  8  0.1657  0.1606  0.0824  1
  Ru  Ru4  4  0.0000  0.3398  0.2500  1
]