data_ZnCuHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.95
_cell_length_b   5.95
_cell_length_c   5.95
_cell_angle_alpha   150.95
_cell_angle_beta   150.95
_cell_angle_gamma   41.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCuHg
_chemical_formula_sum   'Zn1 Cu1 Hg1'
_cell_volume   49.61
_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  Zn2  1  0.0  0.0  0.18  1.0
  Cu  Cu0  1  0.0  0.0  0.17  1.0
  Hg  Hg1  1  0.0  0.0  0.78  1.0

data_ZnCuHg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.22
_cell_length_b   4.22
_cell_length_c   5.95
_cell_angle_alpha   90.0
_cell_angle_beta   110.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZnCuHg
_chemical_formula_sum   'Zn2 Cu2 Hg2'
_cell_volume   99.22
_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
  Zn  Zn0  2  0.0  0.0  0.82  1.0
  Cu  Cu1  2  0.0  0.0  0.83  1.0
  Hg  Hg2  2  0.0  0.0  0.22  1.0

Zn Cu Hg