data_ZnHgAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39
_cell_length_b   4.39
_cell_length_c   6.4
_cell_angle_alpha   105.33
_cell_angle_beta   105.33
_cell_angle_gamma   50.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnHgAs2
_chemical_formula_sum   'Zn1 Hg1 As2'
_cell_volume   90.96
_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  0.22  0.0  0.33  1.0
  Hg  Hg2  1  0.26  0.0  0.06  1.0
  As  As0  1  0.42  0.0  0.17  1.0
  As  As1  1  0.12  0.0  0.62  1.0

data_ZnHgAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.75
_cell_length_b   4.39
_cell_length_c   6.4
_cell_angle_alpha   105.33
_cell_angle_beta   90.0
_cell_angle_gamma   115.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnHgAs2
_chemical_formula_sum   'Zn1 Hg1 As2'
_cell_volume   90.96
_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  0.78  0.67  1.0
  Hg  Hg1  1  0.0  0.74  0.94  1.0
  As  As2  1  0.0  0.58  0.83  1.0
  As  As3  1  0.0  0.88  0.38  1.0

Zn Hg As As