data_[Tb4Ho4Th8]
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/c]
_cell_length_a [8.8449]
_cell_length_b [17.5440]
_cell_length_c [3.5424]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.7331]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TbHoTh2]
_chemical_formula_sum '[Tb4 Ho4 Th8]'
_cell_volume [543.3158]
_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  0.2500  0.2500  0.0000  1
  Ho  Ho1  4  0.0000  0.0874  0.7500  1
  Th  Th2  8  0.1617  0.4164  0.5426  1
]