data_[Ho1Ti1Al2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Ti  1.5400  1.4000  0.8517
  Al  1.6100  1.2500  0.6750
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.4927]
_cell_length_b [4.4927]
_cell_length_c [8.6726]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [HoTi(AlAu2)2]
_chemical_formula_sum '[Ho1 Ti1 Al2 Au4]'
_cell_volume [151.5968]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1
  Ti  Ti1  1  0.3333  0.6667  0.5000  1
  Al  Al2  2  0.6667  0.3333  0.3205  1
  Au  Au3  2  0.0000  0.0000  0.3392  1
  Au  Au4  2  0.3333  0.6667  0.1709  1
]