data_[Tb16Pm6Th6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Pm  1.1300  1.8500  1.1100
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.6913]
_cell_length_b [10.7289]
_cell_length_c [15.1005]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Tb8(PmTh)3]
_chemical_formula_sum '[Tb16 Pm6 Th6]'
_cell_volume [922.0437]
_cell_formula_units_Z [2]
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  8  0.0000  0.1610  0.3964  1
  Tb  Tb1  8  0.0000  0.3421  0.2245  1
  Pm  Pm2  4  0.0000  0.1902  0.0000  1
  Pm  Pm3  2  0.0000  0.5000  0.0000  1
  Th  Th4  4  0.0000  0.0000  0.1855  1
  Th  Th5  2  0.0000  0.5000  0.5000  1
]