data_[Ho24Tm3Th12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Tm  1.2500  1.7500  1.0950
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.3593]
_cell_length_b [7.3593]
_cell_length_c [26.5887]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ho8TmTh4]
_chemical_formula_sum '[Ho24 Tm3 Th12]'
_cell_volume [1247.0830]
_cell_formula_units_Z [3]
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  18  0.0392  0.5196  0.7688  1
  Ho  Ho1  6  0.0000  0.0000  0.2198  1
  Tm  Tm2  3  -0.0000  -0.0000  0.5000  1
  Th  Th3  9  0.0000  0.5000  0.0000  1
  Th  Th4  3  0.0000  0.0000  0.0000  1
]