data_[La8Sn20Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sn  1.9600  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.8029]
_cell_length_b [25.6250]
_cell_length_c [8.3369]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [La2Sn5Au3]
_chemical_formula_sum '[La8 Sn20 Au12]'
_cell_volume [1026.0532]
_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  0.0000  0.1738  0.2586  1
  La  La1  4  0.0000  0.4749  0.2771  1
  Sn  Sn2  4  0.0000  0.0493  0.0861  1
  Sn  Sn3  4  0.0000  0.1208  0.7167  1
  Sn  Sn4  4  0.0000  0.2693  0.9777  1
  Sn  Sn5  4  0.0000  0.3133  0.3996  1
  Sn  Sn6  4  0.0000  0.3943  0.9519  1
  Au  Au7  4  0.0000  0.0465  0.4376  1
  Au  Au8  4  0.0000  0.2307  0.6578  1
  Au  Au9  4  0.0000  0.3991  0.6016  1
]