data_[Nb12Co2Ru10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Co  1.8800  1.3500  0.7683
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.8300]
_cell_length_b [6.1334]
_cell_length_c [4.5781]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.7629]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nb6CoRu5]
_chemical_formula_sum '[Nb12 Co2 Ru10]'
_cell_volume [380.1817]
_cell_formula_units_Z [2]
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  8  0.1599  0.2494  0.1926  1
  Nb  Nb1  4  0.0000  0.2452  0.5000  1
  Co  Co2  2  0.0000  0.0000  0.0000  1
  Ru  Ru3  4  0.1719  0.0000  0.7092  1
  Ru  Ru4  4  0.1748  0.5000  0.7047  1
  Ru  Ru5  2  0.0000  0.5000  0.0000  1
]