data_HgGe5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.6
_cell_length_b   6.6
_cell_length_c   4.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   141.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgGe5
_chemical_formula_sum   'Hg1 Ge5'
_cell_volume   123.01
_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  Hg5  1  0.16  0.0  0.28  1.0
  Ge  Ge0  1  0.16  0.16  0.0  1.0
  Ge  Ge1  1  0.16  0.06  0.28  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Ge  Ge3  1  0.16  0.94  0.28  1.0
  Ge  Ge4  1  0.16  0.84  0.0  1.0

data_HgGe5
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.32
_cell_length_b   4.57
_cell_length_c   6.6
_cell_angle_alpha   90.0
_cell_angle_beta   109.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgGe5
_chemical_formula_sum   'Hg1 Ge5'
_cell_volume   123.01
_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  0.72  0.84  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  Ge  Ge2  1  0.06  0.72  0.9  1.0
  Ge  Ge3  1  0.16  0.0  0.0  1.0
  Ge  Ge4  1  0.84  0.0  0.68  1.0
  Ge  Ge5  1  0.94  0.72  0.78  1.0

Hg Ge Ge Ge Ge Ge
Hg Ge Ge Ge Ge Ge 0 2 o o o 0 4 o - o 0 5 o - o 1 3 o o o 4 5 o o o 