data_ZnHgIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   5.03
_cell_angle_alpha   99.5
_cell_angle_beta   99.5
_cell_angle_gamma   34.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnHgIr2
_chemical_formula_sum   'Zn1 Hg1 Ir2'
_cell_volume   65.01
_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  0.21  0.0  0.55  1.0
  Hg  Hg0  1  0.61  0.0  0.29  1.0
  Ir  Ir1  1  0.2  0.0  0.74  1.0
  Ir  Ir2  1  0.63  0.0  0.79  1.0

data_ZnHgIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   4.79
_cell_length_c   5.03
_cell_angle_alpha   99.5
_cell_angle_beta   90.0
_cell_angle_gamma   107.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnHgIr2
_chemical_formula_sum   'Zn1 Hg1 Ir2'
_cell_volume   65.01
_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  0.79  0.45  1.0
  Hg  Hg1  1  0.0  0.39  0.71  1.0
  Ir  Ir2  1  0.0  0.37  0.21  1.0
  Ir  Ir3  1  0.0  0.8  0.26  1.0

Zn Hg Ir Ir