data_[La8Ge16Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ge  2.0100  1.2500  0.7700
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.5859]
_cell_length_b [8.9381]
_cell_length_c [17.4996]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [LaGe2Au]
_chemical_formula_sum '[La8 Ge16 Au8]'
_cell_volume [717.2895]
_cell_formula_units_Z [8]
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
[
  La  La0  4  0.0000  0.2517  0.0000  1.0
  La  La1  4  0.0000  0.5000  0.2011  1.0
  Ge  Ge2  8  0.0000  0.1446  0.1942  1.0
  Ge  Ge3  4  0.0000  0.0000  0.4290  1.0
  Ge  Ge4  4  0.0000  0.5000  0.4301  1.0
  Au  Au5  8  0.0000  0.2504  0.3523  1.0
]