data_[Ho3Pb3Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Pb  2.3300  1.8000  1.1225
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [8.0680]
_cell_length_b [8.0680]
_cell_length_c [3.6570]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Ho3Pb3Au2]
_chemical_formula_sum '[Ho3 Pb3 Au2]'
_cell_volume [206.1501]
_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  3  0.0000  0.6022  0.5000  1.0
  Pb  Pb1  3  0.0000  0.2447  0.0000  1.0
  Au  Au2  2  0.3333  0.6667  0.0000  1.0
]