data_Nb2CdP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   4.93
_cell_angle_alpha   118.42
_cell_angle_beta   118.42
_cell_angle_gamma   40.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2CdP
_chemical_formula_sum   'Nb2 Cd1 P1'
_cell_volume   71.05
_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  Nb1  1  0.17  0.0  0.86  1.0
  Nb  Nb2  1  0.8  0.0  0.38  1.0
  Cd  Cd0  1  0.48  0.0  0.12  1.0
  P  P3  1  0.0  0.0  0.0  1.0

data_Nb2CdP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.54
_cell_length_b   4.93
_cell_length_c   5.05
_cell_angle_alpha   118.42
_cell_angle_beta   110.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2CdP
_chemical_formula_sum   'Nb2 Cd1 P1'
_cell_volume   71.05
_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  0.38  0.8  1.0
  Nb  Nb1  1  0.0  0.86  0.17  1.0
  Cd  Cd2  1  0.0  0.12  0.48  1.0
  P  P3  1  0.0  0.0  0.0  1.0

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