data_ZnGe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.87
_cell_length_c   5.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnGe3
_chemical_formula_sum   'Zn2 Ge6'
_cell_volume   148.13
_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  Zn6  1  0.0  0.0  0.3  1.0
  Zn  Zn7  1  0.51  0.94  0.72  1.0
  Ge  Ge0  1  0.51  0.0  0.76  1.0
  Ge  Ge1  1  0.0  0.94  0.26  1.0
  Ge  Ge2  1  0.0  0.43  0.78  1.0
  Ge  Ge3  1  0.0  0.45  0.78  1.0
  Ge  Ge4  1  0.51  0.36  0.24  1.0
  Ge  Ge5  1  0.51  0.51  0.24  1.0

data_ZnGe3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   5.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnGe3
_chemical_formula_sum   'Zn2 Ge6'
_cell_volume   148.13
_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  Zn0  1  0.0  0.7  0.0  1.0
  Zn  Zn1  1  0.49  0.28  0.06  1.0
  Ge  Ge2  1  0.0  0.22  0.55  1.0
  Ge  Ge3  1  0.0  0.22  0.57  1.0
  Ge  Ge4  1  0.0  0.74  0.06  1.0
  Ge  Ge5  1  0.49  0.24  0.0  1.0
  Ge  Ge6  1  0.49  0.76  0.49  1.0
  Ge  Ge7  1  0.49  0.76  0.64  1.0

Zn Zn Ge Ge Ge Ge Ge Ge
Zn Zn Ge Ge Ge Ge Ge Ge 0 3 o - o 1 2 o + o 4 5 o o o 6 7 o o o 