data_CuHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.06
_cell_length_b   6.06
_cell_length_c   8.44
_cell_angle_alpha   122.74
_cell_angle_beta   122.74
_cell_angle_gamma   28.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuHg2
_chemical_formula_sum   'Cu2 Hg4'
_cell_volume   123.6
_cell_formula_units_Z   2
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  0.67  0.0  0.16  1.0
  Cu  Cu1  1  0.35  0.0  0.85  1.0
  Hg  Hg2  1  0.63  0.0  0.43  1.0
  Hg  Hg3  1  0.53  0.0  0.2  1.0
  Hg  Hg4  1  0.49  0.0  0.8  1.0
  Hg  Hg5  1  0.39  0.0  0.58  1.0

data_CuHg2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.01
_cell_length_b   6.06
_cell_length_c   7.26
_cell_angle_alpha   78.14
_cell_angle_beta   78.04
_cell_angle_gamma   75.63
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CuHg2
_chemical_formula_sum   'Cu2 Hg4'
_cell_volume   123.6
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.0  0.5  0.84  1.0
  Hg  Hg1  2  0.0  0.2  0.42  1.0
  Hg  Hg2  2  0.0  0.32  0.2  1.0

Cu Cu Hg Hg Hg Hg