data_ZnP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.18
_cell_length_b   5.02
_cell_length_c   4.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnP
_chemical_formula_sum   'Zn4 P4'
_cell_volume   147.84
_cell_formula_units_Z   4
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  Zn4  1  0.73  0.25  0.11  1.0
  Zn  Zn5  1  0.86  0.76  0.05  1.0
  Zn  Zn6  1  0.32  0.25  0.05  1.0
  Zn  Zn7  1  0.45  0.76  1.0  1.0
  P  P0  1  0.93  0.25  0.04  1.0
  P  P1  1  0.66  0.76  0.1  1.0
  P  P2  1  0.52  0.25  0.01  1.0
  P  P3  1  0.25  0.76  0.06  1.0

data_ZnP
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.1
_cell_length_b   5.02
_cell_length_c   7.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   ZnP
_chemical_formula_sum   'Zn4 P4'
_cell_volume   147.84
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y+1/2, -z'
  4  'x, -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
  Zn  Zn0  2  0.45  0.25  0.86  1.0
  Zn  Zn1  2  0.5  0.75  0.73  1.0
  P  P2  2  0.46  0.75  0.93  1.0
  P  P3  2  0.49  0.75  0.34  1.0

Zn Zn Zn Zn P P P P
Zn Zn Zn Zn P P P P 0 6 o o o 0 4 o o o 1 5 o o o 2 6 o o o 3 7 o o + 3 5 o o + 