data_[Ho21Er36Hf3]
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
  Hf  1.3000  1.5500  0.8500
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.5756]
_cell_length_b [12.5756]
_cell_length_c [13.5635]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Ho7Er12Hf]
_chemical_formula_sum '[Ho21 Er36 Hf3]'
_cell_volume [1857.6451]
_cell_formula_units_Z [3]
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  18  0.0672  0.1973  0.8514  1
  Ho  Ho1  3  0.0000  0.0000  0.5000  1
  Er  Er2  18  0.0000  0.5644  0.2496  1
  Er  Er3  18  0.0667  0.8668  0.3476  1
  Hf  Hf4  3  0.0000  0.0000  0.0000  1
]