data_[La4Sn4Au4]
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 [Cm]
_cell_length_a [11.2190]
_cell_length_b [4.4707]
_cell_length_c [7.3199]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.4520]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LaSnAu]
_chemical_formula_sum '[La4 Sn4 Au4]'
_cell_volume [361.0516]
_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  2  0.1738  0.5000  0.3038  1
  La  La1  2  0.3500  0.0000  0.9304  1
  Sn  Sn2  2  0.1196  0.5000  0.8233  1
  Sn  Sn3  2  0.4389  0.5000  0.6392  1
  Au  Au4  2  0.1726  0.0000  0.5721  1
  Au  Au5  2  0.3766  0.0000  0.3536  1
]