data_Nb2CrCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   5.3
_cell_angle_alpha   95.51
_cell_angle_beta   95.51
_cell_angle_gamma   31.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2CrCd
_chemical_formula_sum   'Nb2 Cr1 Cd1'
_cell_volume   68.22
_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  0.02  0.0  0.07  1.0
  Nb  Nb3  1  0.96  0.0  0.96  1.0
  Cr  Cr1  1  0.1  0.0  0.26  1.0
  Cd  Cd0  1  0.48  0.0  0.63  1.0

data_Nb2CrCd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.7
_cell_length_b   4.97
_cell_length_c   5.3
_cell_angle_alpha   95.51
_cell_angle_beta   90.0
_cell_angle_gamma   105.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2CrCd
_chemical_formula_sum   'Nb2 Cr1 Cd1'
_cell_volume   68.22
_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  0.04  0.04  1.0
  Nb  Nb1  1  0.0  0.98  0.93  1.0
  Cr  Cr2  1  0.0  0.9  0.74  1.0
  Cd  Cd3  1  0.0  0.52  0.37  1.0

Nb Nb Cr Cd