data_ZnHgP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.09
_cell_length_b   4.09
_cell_length_c   6.82
_cell_angle_alpha   100.47
_cell_angle_beta   100.47
_cell_angle_gamma   47.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnHgP2
_chemical_formula_sum   'Zn1 Hg1 P2'
_cell_volume   81.98
_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  Zn3  1  0.42  0.0  0.67  1.0
  Hg  Hg0  1  0.02  0.0  0.62  1.0
  P  P1  1  0.49  0.0  0.43  1.0
  P  P2  1  0.4  0.0  0.98  1.0

data_ZnHgP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   4.09
_cell_length_c   6.82
_cell_angle_alpha   100.47
_cell_angle_beta   90.0
_cell_angle_gamma   113.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnHgP2
_chemical_formula_sum   'Zn1 Hg1 P2'
_cell_volume   81.98
_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  0.0  0.58  0.33  1.0
  Hg  Hg1  1  0.0  0.98  0.38  1.0
  P  P2  1  0.0  0.51  0.57  1.0
  P  P3  1  0.0  0.6  0.02  1.0

Zn Hg P P