data_Nb2CdFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.34
_cell_length_b   5.34
_cell_length_c   4.75
_cell_angle_alpha   113.83
_cell_angle_beta   113.83
_cell_angle_gamma   33.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2CdFe
_chemical_formula_sum   'Nb2 Cd1 Fe1'
_cell_volume   67.09
_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  0.27  0.0  0.08  1.0
  Nb  Nb3  1  0.13  0.0  0.3  1.0
  Cd  Cd0  1  0.93  0.0  0.01  1.0
  Fe  Fe1  1  0.01  0.0  0.08  1.0

data_Nb2CdFe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   4.75
_cell_length_c   5.34
_cell_angle_alpha   113.83
_cell_angle_beta   106.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2CdFe
_chemical_formula_sum   'Nb2 Cd1 Fe1'
_cell_volume   67.09
_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  0.08  0.27  1.0
  Nb  Nb1  1  0.0  0.3  0.13  1.0
  Cd  Cd2  1  0.0  0.01  0.93  1.0
  Fe  Fe3  1  0.0  0.08  0.01  1.0

Nb Nb Cd Fe