data_[Ho8Er8Al2]
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 [I4/mmm]
_cell_length_a [10.4122]
_cell_length_b [10.4122]
_cell_length_c [4.7944]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Ho4Er4Al]
_chemical_formula_sum '[Ho8 Er8 Al2]'
_cell_volume [519.7783]
_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  8  0.1593  0.1593  0.5000  1.0
  Er  Er1  8  0.0000  0.3328  0.0000  1.0
  Al  Al2  2  0.0000  0.0000  0.0000  1.0
]