data_HgGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.55
_cell_length_b   6.55
_cell_length_c   6.55
_cell_angle_alpha   151.99
_cell_angle_beta   135.03
_cell_angle_gamma   53.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgGe
_chemical_formula_sum   'Hg2 Ge2'
_cell_volume   92.88
_cell_formula_units_Z   2
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
  Hg  Hg2  1  0.0  0.76  0.3  1.0
  Hg  Hg3  1  0.59  0.75  0.55  1.0
  Ge  Ge0  1  0.59  0.25  0.78  1.0
  Ge  Ge1  1  0.0  0.25  0.07  1.0

data_HgGe
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.17
_cell_length_b   5.01
_cell_length_c   6.55
_cell_angle_alpha   112.48
_cell_angle_beta   104.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   HgGe
_chemical_formula_sum   'Hg2 Ge2'
_cell_volume   92.88
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Hg  Hg0  2  0.33  0.13  0.34  1.0
  Ge  Ge1  2  0.44  0.14  0.94  1.0

Hg Hg Ge Ge