data_ZnGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   5.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   60.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnGe2
_chemical_formula_sum   'Zn2 Ge4'
_cell_volume   110.65
_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  0.36  0.57  0.25  1.0
  Zn  Zn5  1  0.36  0.43  0.76  1.0
  Ge  Ge0  1  0.91  0.12  0.25  1.0
  Ge  Ge1  1  0.82  0.88  0.76  1.0
  Ge  Ge2  1  0.82  0.12  0.25  1.0
  Ge  Ge3  1  0.91  0.88  0.76  1.0

data_ZnGe2
_symmetry_space_group_name_H-M   P2_1/m
_cell_length_a   5.04
_cell_length_b   5.01
_cell_length_c   5.04
_cell_angle_alpha   90.0
_cell_angle_beta   119.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   11
_chemical_formula_structural   ZnGe2
_chemical_formula_sum   'Zn2 Ge4'
_cell_volume   110.65
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y+1/2, -z'
  4  'x, -y+1/2, 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  0.5  0.25  0.57  1.0
  Ge  Ge1  2  0.05  0.75  0.88  1.0
  Ge  Ge2  2  0.05  0.25  0.12  1.0

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