data_[Re4Ni4Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  Ni  1.9100  1.3500  0.7400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [4.5782]
_cell_length_b [8.0076]
_cell_length_c [4.6197]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6189]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [ReNiRu]
_chemical_formula_sum '[Re4 Ni4 Ru4]'
_cell_volume [160.4961]
_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  2  0.0000  0.0532  0.5000  1.0
  Re  Re1  2  0.0000  0.2176  0.0000  1.0
  Ni  Ni2  2  0.0000  0.3845  0.5000  1.0
  Ni  Ni3  2  0.0000  0.5515  0.0000  1.0
  Ru  Ru4  2  0.0000  0.7163  0.5000  1.0
  Ru  Ru5  2  0.0000  0.8794  0.0000  1.0
]