data_[La8Al8]
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
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [6.0826]
_cell_length_b [6.1460]
_cell_length_c [11.8845]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [LaAl]
_chemical_formula_sum '[La8 Al8]'
_cell_volume [444.2891]
_cell_formula_units_Z [8]
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  0.1263  0.5640  0.9851  1.0
  La  La1  4  0.1354  0.1884  0.1803  1.0
  Al  Al2  4  0.1388  0.0645  0.9020  1.0
  Al  Al3  4  0.1393  0.3220  0.7218  1.0
]