data_[Tb16Ho10Th2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ho  1.2300  1.7500  1.0410
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [9.5498]
_cell_length_b [9.5498]
_cell_length_c [10.0912]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Tb8Ho5Th]
_chemical_formula_sum '[Tb16 Ho10 Th2]'
_cell_volume [920.3082]
_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  0.0688  0.3262  0.5938  1
  Tb  Tb1  8  0.0921  0.1737  0.2494  1
  Ho  Ho2  8  0.1134  0.2084  0.9233  1
  Ho  Ho3  2  0.0000  0.0000  0.5000  1
  Th  Th4  2  0.0000  0.5000  0.2500  1
]