data_[La4Al16Cu8]
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 [Pnma]
_cell_length_a [17.0934]
_cell_length_b [4.1447]
_cell_length_c [7.1181]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [La(Al2Cu)2]
_chemical_formula_sum '[La4 Al16 Cu8]'
_cell_volume [504.2940]
_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  0.1162  0.7500  0.5081  1
  Al  Al1  4  0.0372  0.2500  0.2220  1
  Al  Al2  4  0.0956  0.7500  0.0028  1
  Al  Al3  4  0.1904  0.2500  0.8293  1
  Al  Al4  4  0.1983  0.2500  0.2090  1
  Cu  Cu5  4  0.0400  0.2500  0.8247  1
  Cu  Cu6  4  0.2380  0.7500  0.0239  1
]