data_Ni2PCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.49
_cell_length_b   3.49
_cell_length_c   5.82
_cell_angle_alpha   104.54
_cell_angle_beta   104.54
_cell_angle_gamma   55.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2PCl
_chemical_formula_sum   'Ni2 P1 Cl1'
_cell_volume   56.14
_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  Ni1  1  0.2  0.0  0.06  1.0
  Ni  Ni2  1  0.31  0.0  0.52  1.0
  P  P3  1  0.0  0.0  0.0  1.0
  Cl  Cl0  1  0.26  0.0  0.79  1.0

data_Ni2PCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   3.49
_cell_length_c   5.82
_cell_angle_alpha   104.54
_cell_angle_beta   90.0
_cell_angle_gamma   117.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2PCl
_chemical_formula_sum   'Ni2 P1 Cl1'
_cell_volume   56.14
_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  Ni0  1  0.0  0.69  0.48  1.0
  Ni  Ni1  1  0.0  0.8  0.94  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  Cl  Cl3  1  0.0  0.74  0.21  1.0

Ni Ni P Cl