data_ZnHgP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.31
_cell_length_b   7.31
_cell_length_c   7.31
_cell_angle_alpha   154.65
_cell_angle_beta   151.04
_cell_angle_gamma   38.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnHgP2
_chemical_formula_sum   'Zn1 Hg1 P2'
_cell_volume   80.69
_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  0.0  0.0  0.46  1.0
  Hg  Hg0  1  0.0  0.83  0.3  1.0
  P  P1  1  0.0  0.0  0.76  1.0
  P  P2  1  0.6  0.0  0.26  1.0

data_ZnHgP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   3.65
_cell_length_c   7.31
_cell_angle_alpha   104.48
_cell_angle_beta   102.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnHgP2
_chemical_formula_sum   'Zn1 Hg1 P2'
_cell_volume   80.69
_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  0.54  0.54  0.54  1.0
  Hg  Hg1  1  0.7  0.53  0.53  1.0
  P  P2  1  0.24  0.24  0.24  1.0
  P  P3  1  0.34  0.74  0.34  1.0

Zn Hg P P