data_CuHg2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   3.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   117.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuHg2Cl
_chemical_formula_sum   'Cu1 Hg2 Cl1'
_cell_volume   89.05
_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  0.71  0.0  0.0  1.0
  Hg  Hg2  1  0.36  0.77  0.84  1.0
  Hg  Hg3  1  0.36  0.23  0.84  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_CuHg2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.68
_cell_length_b   5.22
_cell_length_c   5.22
_cell_angle_alpha   117.31
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuHg2Cl
_chemical_formula_sum   'Cu1 Hg2 Cl1'
_cell_volume   89.05
_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  Cu0  1  0.0  0.71  0.0  1.0
  Hg  Hg1  1  0.84  0.36  0.23  1.0
  Hg  Hg2  1  0.84  0.36  0.77  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Cu Hg Hg Cl