data_[Ho4Pt4Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Pt  2.2800  1.3500  0.8050
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [5.1868]
_cell_length_b [5.1868]
_cell_length_c [18.6942]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [119]
_chemical_formula_structural [HoPtAu3]
_chemical_formula_sum '[Ho4 Pt4 Au12]'
_cell_volume [502.9332]
_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  4  0.0000  0.5000  0.0756  1
  Pt  Pt1  2  0.0000  0.0000  0.0000  1
  Pt  Pt2  2  0.0000  0.5000  0.7500  1
  Au  Au3  8  0.0000  0.2508  0.8734  1
  Au  Au4  4  0.0000  0.0000  0.3287  1
]