data_NiPCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.0
_cell_length_b   3.98
_cell_length_c   5.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiPCl2
_chemical_formula_sum   'Ni1 P1 Cl2'
_cell_volume   67.64
_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  0.5  0.0  0.83  1.0
  P  P3  1  0.0  0.0  0.0  1.0
  Cl  Cl0  1  0.0  0.99  0.83  1.0
  Cl  Cl1  1  0.5  0.99  0.0  1.0

data_NiPCl2
_symmetry_space_group_name_H-M   Pmm2
_cell_length_a   3.0
_cell_length_b   3.98
_cell_length_c   5.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   25
_chemical_formula_structural   NiPCl2
_chemical_formula_sum   'Ni1 P1 Cl2'
_cell_volume   67.64
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  '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  Ni0  1  0.5  0.0  0.83  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  Cl  Cl2  1  0.0  0.0  0.83  1.0
  Cl  Cl3  1  0.5  0.0  -0.0  1.0

Ni P Cl Cl