data_[Tb16Sm6Th4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sm  1.1700  1.8500  1.2290
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.1628]
_cell_length_b [7.7681]
_cell_length_c [18.6885]
_cell_angle_alpha [85.3632]
_cell_angle_beta [80.7207]
_cell_angle_gamma [77.2093]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tb8Sm3Th2]
_chemical_formula_sum '[Tb16 Sm6 Th4]'
_cell_volume [860.1028]
_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  2  0.0004  0.9863  0.6782  1
  Tb  Tb1  2  0.1103  0.5542  0.0757  1
  Tb  Tb2  2  0.1127  0.5350  0.7389  1
  Tb  Tb3  2  0.2317  0.0980  0.8150  1
  Tb  Tb4  2  0.3356  0.6613  0.8870  1
  Tb  Tb5  2  0.3630  0.6454  0.5609  1
  Tb  Tb6  2  0.4471  0.1885  0.6146  1
  Tb  Tb7  2  0.4482  0.2185  0.9627  1
  Sm  Sm8  2  0.3317  0.6830  0.2254  1
  Sm  Sm9  2  0.4276  0.2374  0.2935  1
  Sm  Sm10  1  0.0000  0.0000  0.0000  1
  Sm  Sm11  1  0.0000  0.0000  0.5000  1
  Th  Th12  2  0.0932  0.5679  0.4147  1
  Th  Th13  2  0.2198  0.1198  0.1462  1
]