data_Ni8P3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.2
_cell_length_b   13.2
_cell_length_c   13.2
_cell_angle_alpha   28.86
_cell_angle_beta   28.86
_cell_angle_gamma   28.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni8P3
_chemical_formula_sum   'Ni32 P12'
_cell_volume   473.45
_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
  Ni  Ni0  1  0.24  0.67  0.67  1.0
  Ni  Ni1  1  0.23  0.32  0.67  1.0
  Ni  Ni2  1  0.77  0.68  0.25  1.0
  Ni  Ni3  1  0.47  1.0  0.25  1.0
  Ni  Ni4  1  0.76  0.33  0.25  1.0
  Ni  Ni5  1  0.24  0.9  0.93  1.0
  Ni  Ni6  1  0.52  0.58  0.93  1.0
  Ni  Ni7  1  0.24  0.53  0.93  1.0
  Ni  Ni8  1  0.87  0.81  0.33  1.0
  Ni  Ni9  1  0.9  0.94  0.33  1.0
  Ni  Ni10  1  0.23  0.26  0.33  1.0
  Ni  Ni11  1  0.1  0.14  0.01  1.0
  Ni  Ni12  1  0.84  0.71  0.01  1.0
  Ni  Ni13  1  0.06  0.15  0.01  1.0
  Ni  Ni14  1  0.16  0.29  0.91  1.0
  Ni  Ni15  1  0.94  0.85  0.91  1.0
  Ni  Ni16  1  0.9  0.86  0.91  1.0
  Ni  Ni17  1  0.77  0.74  0.59  1.0
  Ni  Ni18  1  0.13  0.19  0.59  1.0
  Ni  Ni19  1  0.1  0.06  0.59  1.0
  Ni  Ni20  1  0.53  0.0  0.67  1.0
  Ni  Ni21  1  0.48  0.42  0.99  1.0
  Ni  Ni22  1  0.76  0.1  0.99  1.0
  Ni  Ni23  1  0.76  0.47  0.99  1.0
  Ni  Ni24  1  0.0  0.0  0.75  1.0
  Ni  Ni25  1  0.0  0.0  0.71  1.0
  Ni  Ni26  1  0.0  0.0  0.67  1.0
  Ni  Ni27  1  0.0  0.0  0.63  1.0
  Ni  Ni28  1  0.0  0.0  0.17  1.0
  Ni  Ni29  1  0.0  0.0  0.21  1.0
  Ni  Ni30  1  0.0  0.0  0.29  1.0
  Ni  Ni31  1  0.0  0.0  0.25  1.0
  P  P32  1  0.05  0.99  0.8  1.0
  P  P33  1  0.76  0.91  0.8  1.0
  P  P34  1  0.2  0.1  0.8  1.0
  P  P35  1  0.24  0.09  0.12  1.0
  P  P36  1  0.8  0.9  0.12  1.0
  P  P37  1  0.95  0.01  0.12  1.0
  P  P38  1  0.0  0.0  0.94  1.0
  P  P39  1  0.0  0.0  0.9  1.0
  P  P40  1  0.0  0.0  0.98  1.0
  P  P41  1  0.0  0.0  0.02  1.0
  P  P42  1  0.0  0.0  0.96  1.0
  P  P43  1  0.0  0.0  0.0  1.0

data_Ni8P3
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.58
_cell_length_b   6.58
_cell_length_c   13.2
_cell_angle_alpha   75.57
_cell_angle_beta   75.57
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni8P3
_chemical_formula_sum   'Ni32 P12'
_cell_volume   473.45
_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
  Ni  Ni0  1  0.0  0.25  0.75  1.0
  Ni  Ni1  1  0.0  0.29  0.71  1.0
  Ni  Ni2  1  0.0  0.33  0.67  1.0
  Ni  Ni3  1  0.0  0.37  0.63  1.0
  Ni  Ni4  1  0.0  0.71  0.29  1.0
  Ni  Ni5  1  0.0  0.75  0.25  1.0
  Ni  Ni6  1  0.0  0.79  0.21  1.0
  Ni  Ni7  1  0.0  0.83  0.17  1.0
  Ni  Ni8  1  0.0  0.75  0.72  1.0
  Ni  Ni9  1  0.06  0.67  0.16  1.0
  Ni  Ni10  1  0.1  0.07  0.06  1.0
  Ni  Ni11  1  0.14  0.09  0.67  1.0
  Ni  Ni12  1  0.15  0.09  0.7  1.0
  Ni  Ni13  1  0.19  0.67  0.01  1.0
  Ni  Ni14  1  0.26  0.41  0.1  1.0
  Ni  Ni15  1  0.29  0.99  0.55  1.0
  Ni  Ni16  1  0.32  0.75  0.69  1.0
  Ni  Ni17  1  0.33  0.33  0.58  1.0
  Ni  Ni18  1  0.42  0.07  0.02  1.0
  Ni  Ni19  1  0.47  0.07  0.69  1.0
  Ni  Ni20  1  0.53  0.01  0.22  1.0
  Ni  Ni21  1  0.58  0.01  0.89  1.0
  Ni  Ni22  1  0.67  0.75  0.33  1.0
  Ni  Ni23  1  0.68  0.33  0.23  1.0
  Ni  Ni24  1  0.71  0.09  0.37  1.0
  Ni  Ni25  1  0.74  0.67  0.81  1.0
  Ni  Ni26  1  0.81  0.41  0.91  1.0
  Ni  Ni27  1  0.85  0.99  0.22  1.0
  Ni  Ni28  1  0.86  0.99  0.25  1.0
  Ni  Ni29  1  0.9  0.01  0.86  1.0
  Ni  Ni30  1  0.94  0.41  0.76  1.0
  Ni  Ni31  1  1.0  0.33  0.2  1.0
  P  P32  1  0.0  0.0  0.0  1.0
  P  P33  1  0.0  0.02  0.98  1.0
  P  P34  1  0.0  0.04  0.96  1.0
  P  P35  1  0.0  0.06  0.94  1.0
  P  P36  1  0.0  0.1  0.9  1.0
  P  P37  1  0.0  0.98  0.02  1.0
  P  P38  1  0.01  0.2  0.83  1.0
  P  P39  1  0.09  0.2  0.47  1.0
  P  P40  1  0.1  0.88  0.82  1.0
  P  P41  1  0.9  0.2  0.1  1.0
  P  P42  1  0.91  0.88  0.45  1.0
  P  P43  1  0.99  0.88  0.09  1.0

Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni P P P P P P P P P P P P
Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni P P P P P P P P P P P P 0 7 o o o 0 27 o + o 0 26 o + o 0 16 - o o 0 15 - o o 1 34 o o o 1 13 o o + 1 11 o o + 1 14 o o o 1 20 o o o 2 3 o o o 2 12 o o o 2 16 o o - 2 15 o o - 2 36 o o o 3 19 o + o 3 10 o + o 3 36 o o o 4 31 + o o 4 30 + o o 4 13 + o o 4 11 + o o 4 23 o o - 5 43 o + + 5 41 o + + 5 34 o + o 5 6 o o o 6 21 o o o 7 16 - o o 7 15 - o o 8 17 o o o 8 43 + + o 8 41 + + o 8 42 + + - 8 40 + + - 8 37 o + o 8 9 o o o 9 28 + + o 9 29 + + o 9 17 o o o 9 20 o + o 10 19 o o o 10 18 o o o 11 13 o o o 11 14 o o - 11 23 - o - 12 33 o o - 12 16 o o - 12 15 o o - 13 14 o o - 13 23 - o - 14 35 o o + 15 16 o o o 17 20 o + o 18 19 o o o 18 32 o - o 18 42 o o o 18 39 o o o 18 38 o o o 19 25 o o o 19 24 o o o 20 34 o o o 21 22 o o o 22 36 o - + 22 39 + o o 24 25 o o o 24 32 o - o 25 26 o o o 26 27 o o o 28 29 o o o 28 37 - o o 29 31 o o o 30 31 o o o 32 39 o + o 37 41 + o o 38 42 o o o 38 39 o o o 40 42 o o o 40 43 o o + 41 43 o o o 