data_ZnHgBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.77
_cell_length_b   5.77
_cell_length_c   5.77
_cell_angle_alpha   136.57
_cell_angle_beta   122.76
_cell_angle_gamma   74.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnHgBi2
_chemical_formula_sum   'Zn1 Hg1 Bi2'
_cell_volume   108.28
_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
  Hg  Hg2  1  0.0  0.0  0.59  1.0
  Bi  Bi0  1  0.0  0.76  0.51  1.0
  Bi  Bi1  1  0.13  0.0  0.08  1.0

data_ZnHgBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.27
_cell_length_b   5.53
_cell_length_c   5.77
_cell_angle_alpha   118.62
_cell_angle_beta   111.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnHgBi2
_chemical_formula_sum   'Zn1 Hg1 Bi2'
_cell_volume   108.28
_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
  Hg  Hg1  1  0.41  0.41  0.41  1.0
  Bi  Bi2  1  0.05  0.92  0.05  1.0
  Bi  Bi3  1  0.49  0.25  0.25  1.0

Zn Hg Bi Bi