data_ZnCuHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.57
_cell_length_b   4.28
_cell_length_c   5.23
_cell_angle_alpha   90.0
_cell_angle_beta   105.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCuHg2
_chemical_formula_sum   'Zn1 Cu1 Hg2'
_cell_volume   76.91
_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
  Zn  Zn3  1  0.43  0.14  0.43  1.0
  Cu  Cu0  1  0.48  0.0  0.87  1.0
  Hg  Hg1  1  0.7  0.14  0.7  1.0
  Hg  Hg2  1  0.18  0.0  0.58  1.0

data_ZnCuHg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.57
_cell_length_b   4.28
_cell_length_c   5.23
_cell_angle_alpha   90.0
_cell_angle_beta   105.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCuHg2
_chemical_formula_sum   'Zn1 Cu1 Hg2'
_cell_volume   76.91
_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
  Zn  Zn0  1  0.43  0.14  0.43  1.0
  Cu  Cu1  1  0.48  0.0  0.87  1.0
  Hg  Hg2  1  0.18  0.0  0.58  1.0
  Hg  Hg3  1  0.7  0.14  0.7  1.0

Zn Cu Hg Hg