data_Hg3Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.15
_cell_length_b   6.15
_cell_length_c   6.15
_cell_angle_alpha   146.98
_cell_angle_beta   61.62
_cell_angle_gamma   129.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg3Ge
_chemical_formula_sum   'Hg3 Ge1'
_cell_volume   96.74
_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  Hg1  1  0.75  0.0  0.51  1.0
  Hg  Hg2  1  0.75  0.46  0.11  1.0
  Hg  Hg3  1  0.0  0.82  0.73  1.0
  Ge  Ge0  1  0.0  0.0  0.14  1.0

data_Hg3Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   5.24
_cell_length_c   6.15
_cell_angle_alpha   115.22
_cell_angle_beta   106.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg3Ge
_chemical_formula_sum   'Hg3 Ge1'
_cell_volume   96.74
_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  0.25  0.49  0.74  1.0
  Hg  Hg1  1  0.71  0.35  0.6  1.0
  Hg  Hg2  1  0.82  0.09  0.09  1.0
  Ge  Ge3  1  0.0  0.86  0.86  1.0

Hg Hg Hg Ge