data_ZnGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   5.07
_cell_angle_alpha   100.73
_cell_angle_beta   100.73
_cell_angle_gamma   34.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnGe
_chemical_formula_sum   'Zn2 Ge2'
_cell_volume   70.22
_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  Zn2  1  0.1  0.0  0.39  1.0
  Zn  Zn3  1  0.4  0.0  0.58  1.0
  Ge  Ge0  1  0.72  0.0  0.17  1.0
  Ge  Ge1  1  0.78  0.0  0.8  1.0

data_ZnGe
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.98
_cell_length_b   4.97
_cell_length_c   5.07
_cell_angle_alpha   100.73
_cell_angle_beta   90.0
_cell_angle_gamma   107.41
_symmetry_Int_Tables_number   2
_chemical_formula_structural   ZnGe
_chemical_formula_sum   'Zn2 Ge2'
_cell_volume   70.22
_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  0.35  0.4  1.0
  Ge  Ge1  2  0.0  0.03  0.82  1.0

Zn Zn Ge Ge
Zn Zn Ge Ge 0 1 o o o 0 2 - o o 1 3 o o o 2 3 o o - 