data_[Ta10Ru20]
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 [P4_2/mnm]
_cell_length_a [9.5562]
_cell_length_b [9.5562]
_cell_length_c [5.1295]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [TaRu2]
_chemical_formula_sum '[Ta10 Ru20]'
_cell_volume [468.4344]
_cell_formula_units_Z [10]
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  0.0669  0.7192  0.0000  1
  Ta  Ta1  2  0.0000  0.0000  0.0000  1
  Ru  Ru2  8  0.0478  0.6411  0.5000  1
  Ru  Ru3  8  0.1774  0.1774  0.2535  1
  Ru  Ru4  4  0.0946  0.9054  0.5000  1
]