data_HgGe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.06
_cell_length_b   3.06
_cell_length_c   10.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgGe3
_chemical_formula_sum   'Hg1 Ge3'
_cell_volume   84.14
_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  Hg3  1  0.0  0.0  0.19  1.0
  Ge  Ge0  1  1.0  0.77  0.97  1.0
  Ge  Ge1  1  1.0  0.77  0.42  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0

data_HgGe3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.06
_cell_length_b   5.3
_cell_length_c   10.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HgGe3
_chemical_formula_sum   'Hg2 Ge6'
_cell_volume   168.28
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.19  1.0
  Ge  Ge1  2  0.0  0.0  0.0  1.0
  Ge  Ge2  2  0.27  0.5  0.42  1.0
  Ge  Ge3  2  0.27  0.5  0.97  1.0

Hg Ge Ge Ge