data_[Tb1Ho4Th2]
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 [P-1]
_cell_length_a [3.4719]
_cell_length_b [8.4818]
_cell_length_c [8.6837]
_cell_angle_alpha [62.5980]
_cell_angle_beta [89.8490]
_cell_angle_gamma [81.7395]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tb(Ho2Th)2]
_chemical_formula_sum '[Tb1 Ho4 Th2]'
_cell_volume [224.0857]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1
  Ho  Ho1  2  0.0429  0.4489  0.7165  1
  Ho  Ho2  2  0.3608  0.8524  0.4222  1
  Th  Th3  2  0.4125  0.7187  0.8674  1
]