data_ZnSn2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.76
_cell_length_b   4.93
_cell_length_c   5.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnSn2Hg
_chemical_formula_sum   'Zn1 Sn2 Hg1'
_cell_volume   100.0
_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  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.88  0.46  0.0  1.0
  Sn  Sn2  1  0.0  0.46  0.7  1.0
  Hg  Hg0  1  0.88  0.0  0.7  1.0

data_ZnSn2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.76
_cell_length_b   4.93
_cell_length_c   5.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnSn2Hg
_chemical_formula_sum   'Zn1 Sn2 Hg1'
_cell_volume   100.0
_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  0.0  0.0  0.0  1.0
  Sn  Sn1  1  -0.0  0.46  0.7  1.0
  Sn  Sn2  1  0.88  0.46  0.0  1.0
  Hg  Hg3  1  0.88  0.0  0.7  1.0

Zn Sn Sn Hg
Zn Sn Sn Hg 0 3 - o - 1 2 + o - 