data_HgPCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.24
_cell_length_b   6.24
_cell_length_c   6.24
_cell_angle_alpha   143.79
_cell_angle_beta   143.79
_cell_angle_gamma   52.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgPCl
_chemical_formula_sum   'Hg1 P1 Cl1'
_cell_volume   84.39
_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
  Hg  Hg1  1  0.0  0.0  0.93  1.0
  P  P2  1  0.0  0.0  0.7  1.0
  Cl  Cl0  1  0.0  0.0  0.81  1.0

data_HgPCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.49
_cell_length_b   5.49
_cell_length_c   6.24
_cell_angle_alpha   90.0
_cell_angle_beta   116.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HgPCl
_chemical_formula_sum   'Hg2 P2 Cl2'
_cell_volume   168.79
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -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
  Hg  Hg0  2  0.0  0.0  0.07  1.0
  P  P1  2  0.0  0.0  0.3  1.0
  Cl  Cl2  2  0.0  0.0  0.19  1.0

Hg P Cl
Hg P Cl 0 2 o o o 1 2 o o o 