data_[La8Al4]
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 [C2/m]
_cell_length_a [13.8127]
_cell_length_b [3.7101]
_cell_length_c [7.3473]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2004]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2Al]
_chemical_formula_sum '[La8 Al4]'
_cell_volume [365.0161]
_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  0.1175  0.5000  0.5442  1.0
  La  La1  4  0.1658  0.5000  0.1041  1.0
  Al  Al2  4  0.0103  0.0000  0.8093  1.0
]