data_LaAl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16
_cell_length_b   8.34
_cell_length_c   5.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaAl2
_chemical_formula_sum   'La2 Al4'
_cell_volume   148.99
_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  La4  1  0.0  0.0  0.0  1.0
  La  La5  1  0.58  0.17  0.83  1.0
  Al  Al0  1  0.46  0.03  0.0  1.0
  Al  Al1  1  0.7  0.31  0.0  1.0
  Al  Al2  1  0.88  0.14  0.83  1.0
  Al  Al3  1  0.28  0.2  0.83  1.0

data_LaAl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   5.66
_cell_length_c   8.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaAl2
_chemical_formula_sum   'La2 Al4'
_cell_volume   148.99
_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  1  0.0  0.0  0.0  1.0
  La  La1  1  0.42  0.17  0.83  1.0
  Al  Al2  1  0.12  0.17  0.86  1.0
  Al  Al3  1  0.3  0.0  0.69  1.0
  Al  Al4  1  0.54  0.0  0.97  1.0
  Al  Al5  1  0.72  0.17  0.8  1.0

La La Al Al Al Al
La La Al Al Al Al 0 4 - o - 0 2 - o o 0 2 o o o 1 5 o o o 1 4 o o o 1 2 o o + 1 3 o o + 2 5 o o - 3 5 o o - 3 4 o o - 