data_[Fe8Re24Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Re  1.9000  1.3500  0.7125
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.6598]
_cell_length_b [6.6046]
_cell_length_c [7.5346]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.0268]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Fe2Re6Ru]
_chemical_formula_sum '[Fe8 Re24 Ru4]'
_cell_volume [516.8624]
_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
[
  Fe  Fe0  8  0.2399  0.0813  0.4022  1
  Re  Re1  8  0.1137  0.4685  0.2602  1
  Re  Re2  8  0.1281  0.2174  0.0074  1
  Re  Re3  8  0.1285  0.1669  0.6363  1
  Ru  Ru4  4  0.0000  0.1030  0.2500  1
]