data_[Li4Si4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Si  1.9000  1.1000  0.5400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.0932]
_cell_length_b [4.2257]
_cell_length_c [4.5907]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.1483]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LiSiAu]
_chemical_formula_sum '[Li4 Si4 Au4]'
_cell_volume [195.0049]
_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
[
  Li  Li0  2  0.1324  0.5000  0.6645  1.0
  Li  Li1  2  0.4847  0.0000  0.1201  1.0
  Si  Si2  2  0.1835  0.0000  0.9765  1.0
  Si  Si3  2  0.3275  0.0000  0.5743  1.0
  Au  Au4  2  0.2672  0.5000  0.2155  1.0
  Au  Au5  2  0.4604  0.5000  0.7151  1.0
]