data_[Tb15Pa6Ru15]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Pa  1.5000  1.8000  1.0400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.9944]
_cell_length_b [4.9944]
_cell_length_c [37.1927]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tb5Pa2Ru5]
_chemical_formula_sum '[Tb15 Pa6 Ru15]'
_cell_volume [803.4480]
_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
[
  Tb  Tb0  6  0.0000  0.0000  0.2184  1
  Tb  Tb1  6  0.0000  0.0000  0.3107  1
  Tb  Tb2  3  -0.0000  -0.0000  0.5000  1
  Pa  Pa3  6  0.0000  0.0000  0.0752  1
  Ru  Ru4  6  0.0000  0.0000  0.1391  1
  Ru  Ru5  6  0.0000  0.0000  0.3873  1
  Ru  Ru6  3  0.0000  0.0000  0.0000  1
]