data_[Nb8Cr8Ru8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Cr  1.6600  1.4000  0.9400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.3402]
_cell_length_b [5.0940]
_cell_length_c [8.3996]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [NbCrRu]
_chemical_formula_sum '[Nb8 Cr8 Ru8]'
_cell_volume [356.8575]
_cell_formula_units_Z [8]
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
[
  Nb  Nb0  4  0.1817  0.0000  0.3346  1.0
  Nb  Nb1  4  0.3078  0.0000  0.6670  1.0
  Cr  Cr2  4  0.0000  0.2386  0.5898  1.0
  Cr  Cr3  2  0.0000  0.0000  0.8245  1.0
  Cr  Cr4  2  0.5000  0.0000  0.1675  1.0
  Ru  Ru5  4  0.2465  0.0000  0.0062  1.0
  Ru  Ru6  4  0.5000  0.2437  0.4066  1.0
]