data_[Ho4Th20Sc4]
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/c]
_cell_length_a [11.3616]
_cell_length_b [6.4591]
_cell_length_c [12.5889]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5584]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [HoTh5Sc]
_chemical_formula_sum '[Ho4 Th20 Sc4]'
_cell_volume [898.0889]
_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  0.0000  0.2380  0.7500  1
  Th  Th1  8  0.1729  0.4870  0.5506  1
  Th  Th2  8  0.2347  0.0186  0.1809  1
  Th  Th3  4  0.0000  0.2638  0.2500  1
  Sc  Sc4  4  0.0000  0.0000  0.0000  1
]