data_ZnGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.61
_cell_length_b   7.61
_cell_length_c   4.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   156.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnGe2
_chemical_formula_sum   'Zn2 Ge4'
_cell_volume   109.11
_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
  Zn  Zn4  1  0.52  0.35  0.6  1.0
  Zn  Zn5  1  0.52  0.65  0.2  1.0
  Ge  Ge0  1  0.52  0.23  0.6  1.0
  Ge  Ge1  1  0.52  0.43  0.6  1.0
  Ge  Ge2  1  0.52  0.57  0.2  1.0
  Ge  Ge3  1  0.52  0.77  0.2  1.0

data_ZnGe2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.05
_cell_length_b   4.8
_cell_length_c   7.61
_cell_angle_alpha   90.0
_cell_angle_beta   101.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   ZnGe2
_chemical_formula_sum   'Zn2 Ge4'
_cell_volume   109.11
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Zn  Zn0  2  0.35  0.3  0.35  1.0
  Ge  Ge1  2  0.23  0.3  0.23  1.0
  Ge  Ge2  2  0.43  0.3  0.43  1.0

Zn Zn Ge Ge Ge Ge
Zn Zn Ge Ge Ge Ge 0 3 o o o 0 2 o o o 1 4 o o o 1 5 o o o 