data_[Ho12Er16Sc8]
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 [C2/c]
_cell_length_a [16.7434]
_cell_length_b [9.7414]
_cell_length_c [6.6057]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.4254]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ho3(Er2Sc)2]
_chemical_formula_sum '[Ho12 Er16 Sc8]'
_cell_volume [1075.5003]
_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  8  0.1528  0.0459  0.7396  1.0
  Ho  Ho1  4  0.0000  0.4895  0.7500  1.0
  Er  Er2  8  0.0167  0.1812  0.0144  1.0
  Er  Er3  8  0.1887  0.3767  0.9075  1.0
  Sc  Sc4  8  0.1650  0.2866  0.3903  1.0
]