data_Ge3Sb2P9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.74
_cell_length_b   8.74
_cell_length_c   9.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge3Sb2P9
_chemical_formula_sum   'Ge6 Sb4 P18'
_cell_volume   653.11
_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
  Ge  Ge0  1  0.12  0.31  0.47  1.0
  Ge  Ge1  1  0.98  0.29  0.47  1.0
  Ge  Ge2  1  0.89  0.55  0.47  1.0
  Ge  Ge3  1  0.25  0.27  0.4  1.0
  Ge  Ge4  1  0.39  0.28  0.4  1.0
  Ge  Ge5  1  0.48  0.03  0.4  1.0
  Sb  Sb24  1  0.0  0.05  0.81  1.0
  Sb  Sb25  1  0.37  0.52  0.87  1.0
  Sb  Sb26  1  0.37  0.52  0.06  1.0
  Sb  Sb27  1  0.0  0.05  0.99  1.0
  P  P6  1  0.94  0.19  0.92  1.0
  P  P7  1  0.68  0.06  0.92  1.0
  P  P8  1  0.39  0.9  0.92  1.0
  P  P9  1  0.43  0.38  0.85  1.0
  P  P10  1  0.7  0.52  0.85  1.0
  P  P11  1  0.99  0.68  0.85  1.0
  P  P12  1  0.43  0.38  0.94  1.0
  P  P13  1  0.7  0.52  0.94  1.0
  P  P14  1  0.99  0.68  0.94  1.0
  P  P15  1  0.94  0.19  0.01  1.0
  P  P16  1  0.68  0.06  0.01  1.0
  P  P17  1  0.39  0.9  0.01  1.0
  P  P18  1  0.44  0.05  0.47  1.0
  P  P19  1  0.25  0.22  0.47  1.0
  P  P20  1  0.43  0.3  0.47  1.0
  P  P21  1  0.94  0.52  0.4  1.0
  P  P22  1  0.12  0.35  0.4  1.0
  P  P23  1  0.94  0.27  0.4  1.0

data_Ge3Sb2P9
_symmetry_space_group_name_H-M   P-1
_cell_length_a   8.74
_cell_length_b   8.74
_cell_length_c   9.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Ge3Sb2P9
_chemical_formula_sum   'Ge6 Sb4 P18'
_cell_volume   653.11
_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
  Ge  Ge0  2  0.06  0.98  0.97  1.0
  Ge  Ge1  2  0.2  0.99  0.97  1.0
  Ge  Ge2  2  0.29  0.74  0.97  1.0
  Sb  Sb3  2  0.19  0.24  0.44  1.0
  Sb  Sb4  2  0.19  0.24  0.63  1.0
  P  P5  2  0.06  0.93  0.03  1.0
  P  P6  2  0.2  0.61  0.58  1.0
  P  P7  2  0.2  0.61  0.49  1.0
  P  P8  2  0.24  0.02  0.03  1.0
  P  P9  2  0.25  0.1  0.42  1.0
  P  P10  2  0.25  0.1  0.51  1.0
  P  P11  2  0.25  0.76  0.03  1.0
  P  P12  2  0.49  0.77  0.49  1.0
  P  P13  2  0.49  0.77  0.58  1.0

Ge Ge Ge Ge Ge Ge Sb Sb Sb Sb P P P P P P P P P P P P P P P P P P