data_[La16Al4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Al  1.6100  1.2500  0.6750
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.0296]
_cell_length_b [14.3205]
_cell_length_c [6.1149]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.8725]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La4AlAu]
_chemical_formula_sum '[La16 Al4 Au4]'
_cell_volume [728.5407]
_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  8  0.1169  0.1924  0.5708  1.0
  La  La1  8  0.1955  0.4213  0.8443  1.0
  Al  Al2  4  0.0000  0.3819  0.2500  1.0
  Au  Au3  4  0.0000  0.0051  0.2500  1.0
]