data_[La16Sn4Au2]
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 [20.2270]
_cell_length_b [5.3309]
_cell_length_c [7.0868]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.3872]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La8Sn2Au]
_chemical_formula_sum '[La16 Sn4 Au2]'
_cell_volume [733.1223]
_cell_formula_units_Z [2]
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  0.0132  0.0000  0.7772  1.0
  La  La1  4  0.0913  0.5000  0.4688  1.0
  La  La2  4  0.1536  0.5000  0.9908  1.0
  La  La3  4  0.2150  0.0000  0.3098  1.0
  Sn  Sn4  4  0.1778  0.0000  0.7422  1.0
  Au  Au5  2  0.0000  0.5000  0.0000  1.0
]