data_[Ho8Th8Sc20]
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
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [14.4794]
_cell_length_b [8.3370]
_cell_length_c [9.2079]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.6167]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Ho2Th2Sc5]
_chemical_formula_sum '[Ho8 Th8 Sc20]'
_cell_volume [1010.5118]
_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
[
  Ho  Ho0  4  0.0827  0.8594  0.3838  1
  Ho  Ho1  4  0.1311  0.5987  0.0435  1
  Th  Th2  4  0.2254  0.4667  0.7379  1
  Th  Th3  2  0.0000  0.1839  0.5000  1
  Th  Th4  2  0.0000  0.9346  0.0000  1
  Sc  Sc5  4  0.0071  0.5210  0.3310  1
  Sc  Sc6  4  0.1181  0.2465  0.2485  1
  Sc  Sc7  4  0.1296  0.2133  0.9106  1
  Sc  Sc8  4  0.1632  0.8546  0.7839  1
  Sc  Sc9  4  0.2493  0.0944  0.5897  1
]