data_[Ho38Er8Sc12]
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
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [I23]
_cell_length_a [12.1975]
_cell_length_b [12.1975]
_cell_length_c [12.1975]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [197]
_chemical_formula_structural [Ho19(Er2Sc3)2]
_chemical_formula_sum '[Ho38 Er8 Sc12]'
_cell_volume [1814.7303]
_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  24  0.0591  0.7189  0.2728  1
  Ho  Ho1  12  0.0000  0.0000  0.2655  1
  Ho  Ho2  2  0.0000  0.0000  0.0000  1
  Er  Er3  8  0.1784  0.1784  0.1784  1
  Sc  Sc4  12  0.0000  0.1180  0.5000  1
]