data_[La8In20Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  In  1.7800  1.5500  0.9400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.7503]
_cell_length_b [27.2336]
_cell_length_c [7.5828]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [La2In5Au3]
_chemical_formula_sum '[La8 In20 Au12]'
_cell_volume [980.9579]
_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  0.1734  0.2216  1
  La  La1  4  0.0000  0.4811  0.2576  1
  In  In2  4  0.0000  0.0520  0.0817  1
  In  In3  4  0.0000  0.1214  0.7480  1
  In  In4  4  0.0000  0.2925  0.0156  1
  In  In5  4  0.0000  0.2937  0.4235  1
  In  In6  4  0.0000  0.3988  0.9089  1
  Au  Au7  4  0.0000  0.0478  0.4686  1
  Au  Au8  4  0.0000  0.2260  0.7187  1
  Au  Au9  4  0.0000  0.3927  0.5206  1
]