data_Cu2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.1
_cell_length_b   4.1
_cell_length_c   9.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2Hg
_chemical_formula_sum   'Cu4 Hg2'
_cell_volume   139.51
_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  0.0  0.0  0.62  1.0
  Cu  Cu1  1  0.0  0.0  0.42  1.0
  Cu  Cu2  1  0.0  0.0  0.97  1.0
  Cu  Cu3  1  0.0  0.0  0.17  1.0
  Hg  Hg4  1  0.0  0.37  0.4  1.0
  Hg  Hg5  1  0.05  0.18  0.2  1.0

data_Cu2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.1
_cell_length_b   4.1
_cell_length_c   9.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2Hg
_chemical_formula_sum   'Cu4 Hg2'
_cell_volume   139.51
_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  0.0  0.0  0.17  1.0
  Cu  Cu1  1  0.0  0.0  0.42  1.0
  Cu  Cu2  1  0.0  0.0  0.62  1.0
  Cu  Cu3  1  0.0  0.0  0.97  1.0
  Hg  Hg4  1  -0.0  0.37  0.4  1.0
  Hg  Hg5  1  0.05  0.18  0.2  1.0

Cu Cu Cu Cu Hg Hg