data_[La10Al2]
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 [Cm]
_cell_length_a [12.5162]
_cell_length_b [3.8950]
_cell_length_c [9.0710]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.1480]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [La5Al]
_chemical_formula_sum '[La10 Al2]'
_cell_volume [409.5880]
_cell_formula_units_Z [2]
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  2  0.0300  0.0000  0.5583  1.0
  La  La1  2  0.1731  0.5000  0.9166  1.0
  La  La2  2  0.1894  0.5000  0.3504  1.0
  La  La3  2  0.3639  0.0000  0.7564  1.0
  La  La4  2  0.3849  0.0000  0.1989  1.0
  Al  Al5  2  0.0255  0.0000  0.0528  1.0
]