data_[Tb12Pa4Ru12]
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 [C2/m]
_cell_length_a [10.5994]
_cell_length_b [9.2853]
_cell_length_c [6.5964]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.4969]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb3PaRu3]
_chemical_formula_sum '[Tb12 Pa4 Ru12]'
_cell_volume [645.0451]
_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
[
  Tb  Tb0  4  0.0000  0.1874  0.5000  1
  Tb  Tb1  4  0.0000  0.2953  0.0000  1
  Tb  Tb2  4  0.1873  0.5000  0.5399  1
  Pa  Pa3  4  0.2063  0.0000  0.9130  1
  Ru  Ru4  8  0.2474  0.2609  0.2321  1
  Ru  Ru5  4  0.0692  0.0000  0.1967  1
]