data_[Si14Ni8Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  Ni  1.9100  1.3500  0.7400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.9399]
_cell_length_b [3.7869]
_cell_length_c [8.0310]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0159]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Si7(Ni2Au)2]
_chemical_formula_sum '[Si14 Ni8 Au4]'
_cell_volume [369.7592]
_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
[
  Si  Si0  4  0.0046  0.5000  0.3351  1.0
  Si  Si1  4  0.1534  0.0000  0.7575  1.0
  Si  Si2  4  0.1658  0.0000  0.4233  1.0
  Si  Si3  2  0.0000  0.5000  0.0000  1.0
  Ni  Ni4  4  0.0055  0.0000  0.1685  1.0
  Ni  Ni5  4  0.1551  0.5000  0.5871  1.0
  Au  Au6  4  0.1936  0.0000  0.0934  1.0
]