data_Nd2Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.73
_cell_length_b   5.25
_cell_length_c   9.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd2Al
_chemical_formula_sum   'Nd8 Al4'
_cell_volume   347.87
_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
  Nd  Nd0  1  0.09  0.31  0.19  1.0
  Nd  Nd1  1  0.45  0.31  0.74  1.0
  Nd  Nd2  1  0.64  0.94  0.66  1.0
  Nd  Nd3  1  0.28  0.94  0.11  1.0
  Nd  Nd4  1  0.16  0.31  0.84  1.0
  Nd  Nd5  1  0.53  0.31  0.93  1.0
  Nd  Nd6  1  0.56  0.94  0.0  1.0
  Nd  Nd7  1  0.2  0.94  0.92  1.0
  Al  Al8  1  0.33  0.31  0.9  1.0
  Al  Al9  1  0.97  0.31  0.02  1.0
  Al  Al10  1  0.39  0.94  0.95  1.0
  Al  Al11  1  0.76  0.94  0.82  1.0

data_Nd2Al
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.25
_cell_length_b   6.73
_cell_length_c   9.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Nd2Al
_chemical_formula_sum   'Nd8 Al4'
_cell_volume   347.87
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Nd  Nd0  2  0.31  0.34  1.0  1.0
  Nd  Nd1  2  0.31  0.41  0.19  1.0
  Nd  Nd2  2  0.31  0.7  0.08  1.0
  Nd  Nd3  2  0.31  0.78  0.74  1.0
  Al  Al4  2  0.31  0.53  0.02  1.0
  Al  Al5  2  0.31  0.89  0.9  1.0

Nd Nd Nd Nd Nd Nd Nd Nd Al Al Al Al