data_NiPCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.37
_cell_length_b   3.37
_cell_length_c   8.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   121.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiPCl2
_chemical_formula_sum   'Ni1 P1 Cl2'
_cell_volume   77.47
_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
  Ni  Ni2  1  0.65  0.0  0.79  1.0
  P  P3  1  0.0  0.0  0.44  1.0
  Cl  Cl0  1  0.65  0.0  0.46  1.0
  Cl  Cl1  1  0.0  0.0  0.34  1.0

data_NiPCl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.37
_cell_length_b   5.74
_cell_length_c   8.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NiPCl2
_chemical_formula_sum   'Ni2 P2 Cl4'
_cell_volume   154.99
_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
  Ni  Ni0  2  0.35  0.0  0.21  1.0
  P  P1  2  0.0  0.0  0.56  1.0
  Cl  Cl2  2  0.0  0.0  0.66  1.0
  Cl  Cl3  2  0.35  0.0  0.54  1.0

Ni P Cl Cl
Ni P Cl Cl 0 0 + + o 0 0 o + o 0 0 + o o 0 1 o o o 0 1 + o o 0 2 o o o 1 3 o o o 1 2 - o o 