data_ZnGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   7.68
_cell_angle_alpha   112.26
_cell_angle_beta   112.26
_cell_angle_gamma   31.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnGe2
_chemical_formula_sum   'Zn2 Ge4'
_cell_volume   109.28
_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  0.43  0.0  0.17  1.0
  Zn  Zn5  1  0.98  0.0  0.9  1.0
  Ge  Ge0  1  0.22  0.0  0.48  1.0
  Ge  Ge1  1  0.83  0.0  0.94  1.0
  Ge  Ge2  1  0.19  0.0  0.59  1.0
  Ge  Ge3  1  0.59  0.0  0.12  1.0

data_ZnGe2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.96
_cell_length_b   5.43
_cell_length_c   7.54
_cell_angle_alpha   70.51
_cell_angle_beta   78.67
_cell_angle_gamma   74.16
_symmetry_Int_Tables_number   2
_chemical_formula_structural   ZnGe2
_chemical_formula_sum   'Zn2 Ge4'
_cell_volume   109.28
_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  0.0  0.09  0.13  1.0
  Ge  Ge1  2  0.0  0.29  0.09  1.0
  Ge  Ge2  2  0.0  0.43  0.55  1.0

Zn Zn Ge Ge Ge Ge