data_[Ho6Th2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [17.6621]
_cell_length_b [7.0542]
_cell_length_c [6.1038]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [Ho3Th]
_chemical_formula_sum '[Ho6 Th2]'
_cell_volume [760.4835]
_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
[
  Ho  Ho0  2  0.4257  0.3724  0.8603  1
  Ho  Ho1  2  0.5727  0.3713  0.5255  1
  Ho  Ho2  2  0.5762  0.1236  0.0285  1
  Th  Th3  2  0.4254  0.1186  0.3613  1
]