data_[Ta8Nb8Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Nb  1.6000  1.4500  0.8200
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.3123]
_cell_length_b [8.4290]
_cell_length_c [7.3535]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.6045]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ta2Nb2Ru]
_chemical_formula_sum '[Ta8 Nb8 Ru4]'
_cell_volume [358.5174]
_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
[
  Ta  Ta0  8  0.1597  0.1892  0.7145  1
  Nb  Nb1  4  0.0974  0.5000  0.8777  1
  Nb  Nb2  4  0.2499  0.5000  0.5616  1
  Ru  Ru3  4  0.0000  0.1646  0.0000  1
]