data_[Ta20Ru10]
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 [9.9168]
_cell_length_b [9.9168]
_cell_length_c [5.1099]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [Ta2Ru]
_chemical_formula_sum '[Ta20 Ru10]'
_cell_volume [502.5134]
_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  0.0359  0.6298  0.5000  1
  Ta  Ta1  8  0.1810  0.1810  0.2505  1
  Ta  Ta2  4  0.1032  0.8968  0.5000  1
  Ru  Ru3  8  0.0675  0.7416  0.0000  1
  Ru  Ru4  2  0.0000  0.0000  0.0000  1
]