data_[Ta14Nb4Ru4]
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 [7.8742]
_cell_length_b [10.0287]
_cell_length_c [5.7345]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.4808]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ta7(NbRu)2]
_chemical_formula_sum '[Ta14 Nb4 Ru4]'
_cell_volume [408.7933]
_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  0.1924  0.2453  0.2124  1
  Ta  Ta1  4  0.1646  0.5000  0.9894  1
  Ta  Ta2  2  0.0000  0.0000  0.0000  1
  Nb  Nb3  4  0.1753  0.5000  0.4932  1
  Ru  Ru4  4  0.0000  0.1298  0.5000  1
]