data_ZnInHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.49
_cell_length_b   3.49
_cell_length_c   6.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnInHg
_chemical_formula_sum   'Zn1 In1 Hg1'
_cell_volume   69.31
_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  0.44  1.0
  In  In1  1  0.0  0.01  0.29  1.0
  Hg  Hg0  1  0.74  0.01  0.43  1.0

data_ZnInHg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.49
_cell_length_b   6.04
_cell_length_c   6.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZnInHg
_chemical_formula_sum   'Zn2 In2 Hg2'
_cell_volume   138.62
_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  0.44  1.0
  In  In1  2  0.49  0.5  0.29  1.0
  Hg  Hg2  2  0.24  0.5  0.43  1.0

Zn In Hg
Zn In Hg 0 1 o o o 0 2 - o o 