data_[Ta24Ru15]
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 [R-3m]
_cell_length_a [5.3950]
_cell_length_b [5.3950]
_cell_length_c [26.5270]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ta8Ru5]
_chemical_formula_sum '[Ta24 Ru15]'
_cell_volume [668.6568]
_cell_formula_units_Z [3]
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  18  0.0019  0.5010  0.4147  1
  Ta  Ta1  6  0.0000  0.0000  0.3496  1
  Ru  Ru2  6  0.0000  0.0000  0.1670  1
  Ru  Ru3  6  0.0000  0.0000  0.4510  1
  Ru  Ru4  3  0.0000  0.0000  0.0000  1
]