data_[Y14Au6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [10.0926]
_cell_length_b [10.0926]
_cell_length_c [6.4385]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [Y7Au3]
_chemical_formula_sum '[Y14 Au6]'
_cell_volume [567.9727]
_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
[
  Y  Y0  6  0.0754  0.5377  0.1341  1.0
  Y  Y1  6  0.1284  0.2568  0.4317  1.0
  Y  Y2  2  0.3333  0.6667  0.6134  1.0
  Au  Au3  6  0.1908  0.3817  0.8658  1.0
]