data_Zn2PCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.94
_cell_length_b   6.94
_cell_length_c   6.94
_cell_angle_alpha   150.58
_cell_angle_beta   150.58
_cell_angle_gamma   42.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2PCl
_chemical_formula_sum   'Zn2 P1 Cl1'
_cell_volume   80.5
_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
  Zn  Zn2  1  0.76  0.0  0.24  1.0
  Zn  Zn3  1  0.0  0.0  0.48  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  Cl  Cl0  1  0.0  0.76  0.24  1.0

data_Zn2PCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.53
_cell_length_b   3.53
_cell_length_c   6.94
_cell_angle_alpha   104.71
_cell_angle_beta   104.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2PCl
_chemical_formula_sum   'Zn2 P1 Cl1'
_cell_volume   80.5
_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
  Zn  Zn0  1  0.24  0.48  0.48  1.0
  Zn  Zn1  1  0.48  0.48  0.48  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  Cl  Cl3  1  0.48  0.24  0.48  1.0

Zn Zn P Cl