data_Nb2AlCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   5.29
_cell_angle_alpha   137.45
_cell_angle_beta   133.54
_cell_angle_gamma   64.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2AlCd
_chemical_formula_sum   'Nb2 Al1 Cd1'
_cell_volume   71.71
_cell_formula_units_Z   1
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
  Nb  Nb2  1  0.92  0.0  0.21  1.0
  Nb  Nb3  1  0.0  0.09  0.26  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.0  0.0  0.47  1.0

data_Nb2AlCd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.84
_cell_length_b   4.18
_cell_length_c   5.29
_cell_angle_alpha   113.23
_cell_angle_beta   111.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2AlCd
_chemical_formula_sum   'Nb2 Al1 Cd1'
_cell_volume   71.71
_cell_formula_units_Z   1
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
  Nb  Nb0  1  0.0  0.21  0.29  1.0
  Nb  Nb1  1  0.91  0.17  0.17  1.0
  Al  Al2  1  0.0  0.0  0.0  1.0
  Cd  Cd3  1  0.0  0.47  0.47  1.0

Nb Nb Al Cd