data_[La4Al20Cu12]
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
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9849]
_cell_length_b [12.5983]
_cell_length_c [12.6009]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [LaAl5Cu3]
_chemical_formula_sum '[La4 Al20 Cu12]'
_cell_volume [632.5986]
_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  0.1601  0.2500  1
  Al  Al1  8  0.0000  0.1992  0.5662  1
  Al  Al2  8  0.0000  0.4442  0.1489  1
  Al  Al3  4  0.0000  0.0000  0.0000  1
  Cu  Cu4  8  0.0000  0.3890  0.5436  1
  Cu  Cu5  4  0.0000  0.1263  0.7500  1
]