data_ZnP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   3.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   140.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnP
_chemical_formula_sum   'Zn2 P2'
_cell_volume   64.81
_cell_formula_units_Z   2
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  0.86  0.35  0.83  1.0
  Zn  Zn3  1  0.86  0.65  0.5  1.0
  P  P0  1  0.86  0.73  0.83  1.0
  P  P1  1  0.86  0.27  0.5  1.0

data_ZnP
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.33
_cell_length_b   3.72
_cell_length_c   5.55
_cell_angle_alpha   109.6
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   ZnP
_chemical_formula_sum   'Zn2 P2'
_cell_volume   64.81
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.33  0.35  0.85  1.0
  P  P1  2  0.33  0.73  0.23  1.0

Zn Zn P P
Zn Zn P P 0 3 o o o 1 2 o o o 