data_[Ta12Nb4Ru2]
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 [7.2259]
_cell_length_b [14.4690]
_cell_length_c [3.1432]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.4898]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ta6Nb2Ru]
_chemical_formula_sum '[Ta12 Nb4 Ru2]'
_cell_volume [323.1315]
_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
[
  Ta  Ta0  8  0.1660  0.3352  0.8261  1
  Ta  Ta1  4  0.1735  0.5000  0.3284  1
  Nb  Nb2  4  0.0000  0.1600  0.5000  1
  Ru  Ru3  2  0.0000  0.0000  0.0000  1
]