data_[Nb6Si6Ru6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Si  1.9000  1.1000  0.5400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.5021]
_cell_length_b [3.7211]
_cell_length_c [11.1358]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.7373]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NbSiRu]
_chemical_formula_sum '[Nb6 Si6 Ru6]'
_cell_volume [269.4047]
_cell_formula_units_Z [6]
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  2  0.0175  0.2500  0.7074  1.0
  Nb  Nb1  2  0.3443  0.7500  0.0785  1.0
  Nb  Nb2  2  0.4728  0.7500  0.3857  1.0
  Si  Si3  2  0.2333  0.7500  0.5857  1.0
  Si  Si4  2  0.2382  0.2500  0.9153  1.0
  Si  Si5  2  0.2754  0.2500  0.2523  1.0
  Ru  Ru6  2  0.0145  0.2500  0.0934  1.0
  Ru  Ru7  2  0.1481  0.2500  0.4581  1.0
  Ru  Ru8  2  0.3581  0.7500  0.7975  1.0
]