data_[La4Ce4Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ce  1.1200  1.8500  1.0800
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.7743]
_cell_length_b [28.6895]
_cell_length_c [4.6848]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [LaCeAu3]
_chemical_formula_sum '[La4 Ce4 Au12]'
_cell_volume [507.2850]
_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  0.0728  0.7500  1
  Ce  Ce1  4  0.0000  0.2054  0.2500  1
  Au  Au2  4  0.0000  0.3164  0.2500  1
  Au  Au3  4  0.0000  0.3783  0.7500  1
  Au  Au4  4  0.0000  0.4748  0.7500  1
]