data_CuHgCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.37
_cell_length_b   6.37
_cell_length_c   6.37
_cell_angle_alpha   150.96
_cell_angle_beta   150.96
_cell_angle_gamma   41.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuHgCl
_chemical_formula_sum   'Cu1 Hg1 Cl1'
_cell_volume   60.78
_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
  Cu  Cu1  1  0.0  0.0  0.18  1.0
  Hg  Hg2  1  0.0  0.0  0.25  1.0
  Cl  Cl0  1  0.0  0.0  0.4  1.0

data_CuHgCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.52
_cell_length_b   4.52
_cell_length_c   6.37
_cell_angle_alpha   90.0
_cell_angle_beta   110.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CuHgCl
_chemical_formula_sum   'Cu2 Hg2 Cl2'
_cell_volume   121.55
_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
  Cu  Cu0  2  0.0  0.0  0.82  1.0
  Hg  Hg1  2  0.0  0.0  0.75  1.0
  Cl  Cl2  2  0.0  0.0  0.6  1.0

Cu Hg Cl