data_[Tb4Th4Ru8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Th  1.3000  1.8000  1.0800
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [5.8435]
_cell_length_b [5.8548]
_cell_length_c [11.0377]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7481]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [TbThRu2]
_chemical_formula_sum '[Tb4 Th4 Ru8]'
_cell_volume [357.5865]
_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  0.3061  0.3683  0.3547  1
  Th  Th1  4  0.1880  0.1377  0.6469  1
  Ru  Ru2  4  0.1494  0.3407  0.0574  1
  Ru  Ru3  4  0.3534  0.1245  0.8989  1
]