data_[Ta8Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.2734]
_cell_length_b [3.2113]
_cell_length_c [6.5424]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.4352]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ta2Ru]
_chemical_formula_sum '[Ta8 Ru4]'
_cell_volume [202.2584]
_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  4  0.0015  0.5000  0.7580  1.0
  Ta  Ta1  4  0.1712  0.0000  0.5944  1.0
  Ru  Ru2  4  0.1597  0.0000  0.0929  1.0
]