data_[Ho36Er21Al3]
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
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [11.8618]
_cell_length_b [11.8618]
_cell_length_c [15.3299]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Ho12Er7Al]
_chemical_formula_sum '[Ho36 Er21 Al3]'
_cell_volume [1867.9750]
_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  0.0380  0.4590  0.7122  1
  Ho  Ho1  18  0.0558  0.5851  0.0860  1
  Er  Er2  18  0.0544  0.1878  0.8002  1
  Er  Er3  3  -0.0000  0.0000  0.5000  1
  Al  Al4  3  0.0000  0.0000  0.0000  1
]