data_HgGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.88
_cell_length_b   8.88
_cell_length_c   8.88
_cell_angle_alpha   153.51
_cell_angle_beta   153.51
_cell_angle_gamma   37.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgGe2
_chemical_formula_sum   'Hg2 Ge4'
_cell_volume   139.26
_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  Hg4  1  0.0  0.04  0.2  1.0
  Hg  Hg5  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.04  0.0  0.5  1.0
  Ge  Ge1  1  0.0  0.0  0.1  1.0
  Ge  Ge2  1  0.04  0.0  0.9  1.0
  Ge  Ge3  1  0.0  0.0  0.71  1.0

data_HgGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.07
_cell_length_b   4.07
_cell_length_c   8.88
_cell_angle_alpha   103.24
_cell_angle_beta   103.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgGe2
_chemical_formula_sum   'Hg2 Ge4'
_cell_volume   139.26
_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  Hg0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.17  0.2  0.17  1.0
  Ge  Ge2  1  0.1  0.1  0.1  1.0
  Ge  Ge3  1  0.5  0.47  0.47  1.0
  Ge  Ge4  1  0.71  0.71  0.71  1.0
  Ge  Ge5  1  0.9  0.87  0.87  1.0

Hg Hg Ge Ge Ge Ge