data_[Re6Tc3Ru12]
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 [R3m]
_cell_length_a [2.7470]
_cell_length_b [2.7470]
_cell_length_c [45.8577]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Re2TcRu4]
_chemical_formula_sum '[Re6 Tc3 Ru12]'
_cell_volume [299.6750]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.6187  1
  Re  Re1  3  0.0000  0.0000  0.7148  1
  Tc  Tc2  3  0.0000  0.0000  0.8104  1
  Ru  Ru3  3  0.0000  0.0000  0.4298  1
  Ru  Ru4  3  0.0000  0.0000  0.5238  1
  Ru  Ru5  3  0.0000  0.0000  0.9050  1
  Ru  Ru6  3  0.0000  0.0000  0.9995  1
]