data_Hg3Ge2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   5.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg3Ge2
_chemical_formula_sum   'Hg3 Ge2'
_cell_volume   133.03
_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
  Hg  Hg2  1  0.0  0.0  0.0  1.0
  Hg  Hg3  1  0.0  0.02  0.8  1.0
  Hg  Hg4  1  0.62  0.51  0.8  1.0
  Ge  Ge0  1  0.0  0.02  0.0  1.0
  Ge  Ge1  1  0.62  0.51  0.0  1.0

data_Hg3Ge2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   5.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg3Ge2
_chemical_formula_sum   'Hg3 Ge2'
_cell_volume   133.03
_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
  Hg  Hg0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.0  0.02  0.8  1.0
  Hg  Hg2  1  0.62  0.51  0.8  1.0
  Ge  Ge3  1  0.0  0.02  -0.0  1.0
  Ge  Ge4  1  0.62  0.51  -0.0  1.0

Hg Hg Hg Ge Ge
Hg Hg Hg Ge Ge 0 3 o o o 0 1 o o - 1 3 o o + 2 4 o o + 