data_NbCd2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.97
_cell_length_b   2.97
_cell_length_c   9.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCd2P
_chemical_formula_sum   'Nb1 Cd2 P1'
_cell_volume   80.13
_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  0.78  0.0  0.49  1.0
  Cd  Cd0  1  0.78  0.0  0.08  1.0
  Cd  Cd1  1  0.0  0.0  0.87  1.0
  P  P3  1  0.0  0.0  0.79  1.0

data_NbCd2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   2.97
_cell_length_c   9.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCd2P
_chemical_formula_sum   'Nb1 Cd2 P1'
_cell_volume   80.13
_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  0.78  0.0  0.49  1.0
  Cd  Cd1  1  0.0  0.0  0.87  1.0
  Cd  Cd2  1  0.78  0.0  0.08  1.0
  P  P3  1  0.0  0.0  0.79  1.0

Nb Cd Cd P
Nb Cd Cd P 0 0 o + o 0 0 + o o 0 3 + o o 1 2 + o - 2 3 o o o 