data_Zn2HgGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   5.22
_cell_angle_alpha   132.55
_cell_angle_beta   132.55
_cell_angle_gamma   69.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2HgGe
_chemical_formula_sum   'Zn2 Hg1 Ge1'
_cell_volume   75.9
_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  0.1  0.0  0.15  1.0
  Hg  Hg1  1  0.0  0.1  0.15  1.0
  Ge  Ge0  1  0.0  0.0  0.3  1.0

data_Zn2HgGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.2
_cell_length_b   4.2
_cell_length_c   5.22
_cell_angle_alpha   113.73
_cell_angle_beta   113.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2HgGe
_chemical_formula_sum   'Zn2 Hg1 Ge1'
_cell_volume   75.9
_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  0.15  0.05  0.05  1.0
  Hg  Hg2  1  0.05  0.15  0.05  1.0
  Ge  Ge3  1  0.3  0.3  0.3  1.0

Zn Zn Hg Ge