data_Zn3Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.06
_cell_length_b   8.26
_cell_length_c   5.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn3Ge
_chemical_formula_sum   'Zn12 Ge4'
_cell_volume   269.77
_cell_formula_units_Z   4
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  0.71  0.19  0.46  1.0
  Zn  Zn5  1  0.38  0.06  0.15  1.0
  Zn  Zn6  1  0.68  0.19  0.24  1.0
  Zn  Zn7  1  0.35  0.06  0.93  1.0
  Zn  Zn8  1  0.4  0.23  0.55  1.0
  Zn  Zn9  1  0.63  0.02  0.86  1.0
  Zn  Zn10  1  0.43  0.15  0.53  1.0
  Zn  Zn11  1  0.66  0.1  0.84  1.0
  Zn  Zn12  1  0.66  0.02  0.84  1.0
  Zn  Zn13  1  0.43  0.23  0.53  1.0
  Zn  Zn14  1  0.63  0.1  0.86  1.0
  Zn  Zn15  1  0.4  0.15  0.55  1.0
  Ge  Ge0  1  0.56  0.19  0.15  1.0
  Ge  Ge1  1  0.53  0.06  0.45  1.0
  Ge  Ge2  1  0.53  0.19  0.94  1.0
  Ge  Ge3  1  0.5  0.06  0.24  1.0

data_Zn3Ge
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.39
_cell_length_b   6.06
_cell_length_c   8.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Zn3Ge
_chemical_formula_sum   'Zn12 Ge4'
_cell_volume   269.77
_cell_formula_units_Z   4
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  0.04  0.65  0.06  1.0
  Zn  Zn1  2  0.26  0.68  0.06  1.0
  Zn  Zn2  2  0.34  0.4  0.02  1.0
  Zn  Zn3  2  0.34  0.4  0.1  1.0
  Zn  Zn4  2  0.36  0.37  0.1  1.0
  Zn  Zn5  2  0.36  0.37  0.02  1.0
  Ge  Ge6  2  0.05  0.47  0.94  1.0
  Ge  Ge7  2  0.26  0.5  0.94  1.0

Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Ge Ge Ge Ge