data_ZnHg2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.2
_cell_length_b   3.2
_cell_length_c   9.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   104.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnHg2As
_chemical_formula_sum   'Zn1 Hg2 As1'
_cell_volume   90.68
_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  0.37  1.0
  Hg  Hg1  1  0.0  0.0  0.05  1.0
  Hg  Hg2  1  0.96  0.0  0.56  1.0
  As  As0  1  0.96  0.0  0.74  1.0

data_ZnHg2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   3.2
_cell_length_c   9.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   104.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnHg2As
_chemical_formula_sum   'Zn1 Hg2 As1'
_cell_volume   90.68
_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  0.37  1.0
  Hg  Hg1  1  0.0  0.0  0.05  1.0
  Hg  Hg2  1  0.96  0.0  0.56  1.0
  As  As3  1  0.96  0.0  0.74  1.0

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