data_NbCd2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.67
_cell_length_b   9.67
_cell_length_c   9.67
_cell_angle_alpha   18.24
_cell_angle_beta   18.24
_cell_angle_gamma   18.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCd2P
_chemical_formula_sum   'Nb1 Cd2 P1'
_cell_volume   77.36
_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  0.0  0.0  0.26  1.0
  Cd  Cd0  1  0.0  0.0  0.31  1.0
  Cd  Cd1  1  0.0  0.0  0.21  1.0
  P  P3  1  0.0  0.0  0.0  1.0

data_NbCd2P
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.31
_cell_length_b   3.07
_cell_length_c   9.67
_cell_angle_alpha   90.0
_cell_angle_beta   100.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbCd2P
_chemical_formula_sum   'Nb2 Cd4 P2'
_cell_volume   154.71
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.74  1.0
  Cd  Cd1  2  0.0  0.0  0.69  1.0
  Cd  Cd2  2  0.0  0.0  0.79  1.0
  P  P3  2  0.0  0.0  0.0  1.0

Nb Cd Cd P