data_NbPCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.03
_cell_length_b   7.03
_cell_length_c   4.2
_cell_angle_alpha   105.46
_cell_angle_beta   105.46
_cell_angle_gamma   25.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbPCl2
_chemical_formula_sum   'Nb1 P1 Cl2'
_cell_volume   84.79
_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  0.29  0.0  0.02  1.0
  P  P3  1  0.0  0.0  0.0  1.0
  Cl  Cl0  1  0.42  0.0  0.67  1.0
  Cl  Cl1  1  0.15  0.0  0.37  1.0

data_NbPCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   4.2
_cell_length_c   7.03
_cell_angle_alpha   105.46
_cell_angle_beta   102.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbPCl2
_chemical_formula_sum   'Nb1 P1 Cl2'
_cell_volume   84.79
_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  0.02  0.29  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  Cl  Cl2  1  0.0  0.37  0.15  1.0
  Cl  Cl3  1  0.0  0.67  0.42  1.0

Nb P Cl Cl