data_[La8Ge8Au4]
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 [C2/m]
_cell_length_a [11.4103]
_cell_length_b [4.5263]
_cell_length_c [11.4374]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.0461]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2Ge2Au]
_chemical_formula_sum '[La8 Ge8 Au4]'
_cell_volume [516.4050]
_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
[
  La  La0  4  0.0951  0.0000  0.4028  1.0
  La  La1  4  0.2073  0.5000  0.1519  1.0
  Ge  Ge2  4  0.0242  0.0000  0.9044  1.0
  Ge  Ge3  4  0.1255  0.5000  0.6084  1.0
  Au  Au4  4  0.0764  0.5000  0.8205  1.0
]