data_ZnHgBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.23
_cell_length_b   10.23
_cell_length_c   10.23
_cell_angle_alpha   19.84
_cell_angle_beta   19.84
_cell_angle_gamma   19.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnHgBi2
_chemical_formula_sum   'Zn1 Hg1 Bi2'
_cell_volume   107.9
_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  0.7  1.0
  Hg  Hg2  1  0.0  0.0  0.68  1.0
  Bi  Bi0  1  0.0  0.0  0.43  1.0
  Bi  Bi1  1  0.0  0.0  0.31  1.0

data_ZnHgBi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.11
_cell_length_b   3.53
_cell_length_c   10.23
_cell_angle_alpha   90.0
_cell_angle_beta   101.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZnHgBi2
_chemical_formula_sum   'Zn2 Hg2 Bi4'
_cell_volume   215.81
_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  0.3  1.0
  Hg  Hg1  2  0.0  0.0  0.32  1.0
  Bi  Bi2  2  0.0  0.0  0.57  1.0
  Bi  Bi3  2  0.0  0.0  0.69  1.0

Zn Hg Bi Bi