data_[La8Sn8Au4]
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 [C2/m]
_cell_length_a [11.6802]
_cell_length_b [4.7504]
_cell_length_c [11.5181]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.1330]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2Sn2Au]
_chemical_formula_sum '[La8 Sn8 Au4]'
_cell_volume [568.7608]
_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  0.0071  0.0000  0.3303  1.0
  La  La1  4  0.1836  0.0000  0.1118  1.0
  Sn  Sn2  4  0.0337  0.5000  0.8873  1.0
  Sn  Sn3  4  0.1484  0.5000  0.5616  1.0
  Au  Au4  4  0.2139  0.5000  0.3376  1.0
]