data_[Ho4Er4Th8Sc20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Er  1.2400  1.7500  1.0300
  Th  1.3000  1.8000  1.0800
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [8.4214]
_cell_length_b [8.4214]
_cell_length_c [14.4044]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [HoErTh2Sc5]
_chemical_formula_sum '[Ho4 Er4 Th8 Sc20]'
_cell_volume [1021.5690]
_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  0.0000  0.2500  1
  Er  Er1  4  0.0000  0.5000  0.2500  1
  Th  Th2  8  0.1238  0.6238  0.5000  1
  Sc  Sc3  16  0.2098  0.2902  0.3599  1
  Sc  Sc4  4  0.0000  0.0000  0.0000  1
]