data_Zn2HgSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.96
_cell_length_b   4.1
_cell_length_c   5.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2HgSb
_chemical_formula_sum   'Zn2 Hg1 Sb1'
_cell_volume   87.21
_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  Zn2  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.0  0.05  0.69  1.0
  Hg  Hg0  1  0.98  0.05  0.0  1.0
  Sb  Sb1  1  0.98  0.0  0.69  1.0

data_Zn2HgSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.96
_cell_length_b   4.1
_cell_length_c   5.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2HgSb
_chemical_formula_sum   'Zn2 Hg1 Sb1'
_cell_volume   87.21
_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
  Zn  Zn1  1  0.0  0.05  0.69  1.0
  Hg  Hg2  1  0.98  0.05  0.0  1.0
  Sb  Sb3  1  0.98  0.0  0.69  1.0

Zn Zn Hg Sb
Zn Zn Hg Sb 0 2 - o o 1 3 - o o 