data_[Tb4Ho16Th6]
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 [C2/m]
_cell_length_a [14.7814]
_cell_length_b [9.2318]
_cell_length_c [6.5905]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.6037]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb2Ho8Th3]
_chemical_formula_sum '[Tb4 Ho16 Th6]'
_cell_volume [886.7290]
_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  4  0.2140  0.0000  0.7945  1
  Ho  Ho1  8  0.1126  0.3213  0.4356  1
  Ho  Ho2  4  0.0818  0.5000  0.8712  1
  Ho  Ho3  4  0.1962  0.0000  0.2869  1
  Th  Th4  4  0.0000  0.1692  0.0000  1
  Th  Th5  2  0.0000  0.0000  0.5000  1
]