data_NbCd2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.24
_cell_length_b   7.11
_cell_length_c   7.11
_cell_angle_alpha   25.59
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCd2B
_chemical_formula_sum   'Nb1 Cd2 B1'
_cell_volume   70.7
_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  Nb3  1  0.62  0.0  0.56  1.0
  Cd  Cd1  1  0.62  0.0  0.07  1.0
  Cd  Cd2  1  0.0  0.0  0.27  1.0
  B  B0  1  0.0  0.0  0.74  1.0

data_NbCd2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   3.24
_cell_length_c   7.11
_cell_angle_alpha   90.0
_cell_angle_beta   102.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCd2B
_chemical_formula_sum   'Nb1 Cd2 B1'
_cell_volume   70.7
_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  0.44  0.62  0.44  1.0
  Cd  Cd1  1  0.73  0.0  0.73  1.0
  Cd  Cd2  1  0.93  0.62  0.93  1.0
  B  B3  1  0.26  0.0  0.26  1.0

Nb Cd Cd B