data_GeAsP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   11.17
_cell_length_c   9.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeAsP
_chemical_formula_sum   'Ge8 As8 P8'
_cell_volume   513.42
_cell_formula_units_Z   8
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  Ge8  1  0.2  0.0  0.9  1.0
  Ge  Ge9  1  0.2  0.58  0.43  1.0
  Ge  Ge10  1  0.61  0.0  0.65  1.0
  Ge  Ge11  1  0.61  0.58  0.12  1.0
  Ge  Ge12  1  0.78  0.79  0.39  1.0
  Ge  Ge13  1  0.63  0.38  0.39  1.0
  Ge  Ge14  1  0.04  0.38  0.16  1.0
  Ge  Ge15  1  0.18  0.79  0.16  1.0
  As  As0  1  0.36  0.67  0.35  1.0
  As  As1  1  0.04  0.5  0.35  1.0
  As  As2  1  0.04  0.25  0.42  1.0
  As  As3  1  0.36  0.92  0.42  1.0
  As  As4  1  0.45  0.5  0.2  1.0
  As  As5  1  0.77  0.67  0.2  1.0
  As  As6  1  0.77  0.92  0.13  1.0
  As  As7  1  0.45  0.25  0.13  1.0
  P  P16  1  0.3  0.26  0.39  1.0
  P  P17  1  0.92  0.91  0.39  1.0
  P  P18  1  0.92  0.67  0.38  1.0
  P  P19  1  0.3  0.5  0.38  1.0
  P  P20  1  0.52  0.91  0.16  1.0
  P  P21  1  0.89  0.26  0.16  1.0
  P  P22  1  0.89  0.5  0.17  1.0
  P  P23  1  0.52  0.67  0.17  1.0

data_GeAsP
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.81
_cell_length_b   9.55
_cell_length_c   11.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeAsP
_chemical_formula_sum   'Ge8 As8 P8'
_cell_volume   513.42
_cell_formula_units_Z   8
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  0.22  0.61  0.21  1.0
  Ge  Ge1  1  0.37  0.61  0.62  1.0
  Ge  Ge2  1  0.39  0.35  0.0  1.0
  Ge  Ge3  1  0.39  0.88  0.42  1.0
  Ge  Ge4  1  0.8  0.1  0.0  1.0
  Ge  Ge5  1  0.8  0.57  0.42  1.0
  Ge  Ge6  1  0.82  0.84  0.21  1.0
  Ge  Ge7  1  0.96  0.84  0.62  1.0
  As  As8  1  0.23  0.8  0.33  1.0
  As  As9  1  0.23  0.87  0.08  1.0
  As  As10  1  0.55  0.8  0.5  1.0
  As  As11  1  0.55  0.87  0.75  1.0
  As  As12  1  0.64  0.58  0.08  1.0
  As  As13  1  0.64  0.65  0.33  1.0
  As  As14  1  0.96  0.58  0.75  1.0
  As  As15  1  0.96  0.65  0.5  1.0
  P  P16  1  0.08  0.61  0.09  1.0
  P  P17  1  0.08  0.62  0.33  1.0
  P  P18  1  0.11  0.83  0.5  1.0
  P  P19  1  0.11  0.84  0.74  1.0
  P  P20  1  0.48  0.83  0.33  1.0
  P  P21  1  0.48  0.84  0.09  1.0
  P  P22  1  0.7  0.61  0.74  1.0
  P  P23  1  0.7  0.62  0.5  1.0

Ge Ge Ge Ge Ge Ge Ge Ge As As As As As As As As P P P P P P P P
Ge Ge Ge Ge Ge Ge Ge Ge As As As As As As As As P P P P P P P P 0 7 o - + 0 14 - - + 0 14 o - + 0 2 - o o 0 2 o o o 0 20 o - + 0 15 o o + 1 9 o o o 1 19 o o o 1 8 o o o 1 18 - o o 2 11 o - o 2 17 o - o 3 12 o o o 3 23 o o o 3 13 o o o 3 22 o o o 4 18 o o o 4 17 o o o 4 11 o o o 5 16 o o o 5 19 o o o 5 12 o o o 5 10 + o o 5 9 + o o 6 21 - o o 6 22 - o o 6 15 o o o 7 13 - o o 7 14 - o o 7 23 o o o 7 8 o o o 7 20 o o o 8 11 o o o 9 19 o o o 10 16 o o o 11 17 - o o 11 17 o o o 11 20 o o o 13 23 o o o 14 20 o o o 15 16 o o o 15 21 - o o 15 21 o o o 