data_ZnNi10P3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.65
_cell_length_b   7.65
_cell_length_c   9.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnNi10P3
_chemical_formula_sum   'Zn3 Ni30 P9'
_cell_volume   474.29
_cell_formula_units_Z   3
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  Zn39  1  0.0  0.0  0.0  1.0
  Zn  Zn40  1  0.83  0.21  0.37  1.0
  Zn  Zn41  1  0.0  0.42  0.98  1.0
  Ni  Ni0  1  0.27  0.42  0.62  1.0
  Ni  Ni1  1  0.0  0.42  0.62  1.0
  Ni  Ni2  1  0.73  0.42  0.62  1.0
  Ni  Ni3  1  0.83  0.21  0.91  1.0
  Ni  Ni4  1  0.05  0.93  0.92  1.0
  Ni  Ni5  1  0.83  0.77  0.92  1.0
  Ni  Ni6  1  0.61  0.93  0.92  1.0
  Ni  Ni7  1  0.81  0.37  0.25  1.0
  Ni  Ni8  1  0.0  0.52  0.25  1.0
  Ni  Ni9  1  0.19  0.37  0.25  1.0
  Ni  Ni10  1  0.0  0.0  0.54  1.0
  Ni  Ni11  1  0.0  0.42  0.61  1.0
  Ni  Ni12  1  0.3  0.26  0.67  1.0
  Ni  Ni13  1  0.61  0.0  0.67  1.0
  Ni  Ni14  1  0.7  0.26  0.67  1.0
  Ni  Ni15  1  0.48  0.37  0.67  1.0
  Ni  Ni16  1  0.05  0.0  0.67  1.0
  Ni  Ni17  1  0.52  0.37  0.67  1.0
  Ni  Ni18  1  0.83  0.21  0.74  1.0
  Ni  Ni19  1  0.0  0.0  0.8  1.0
  Ni  Ni20  1  0.64  0.26  0.1  1.0
  Ni  Ni21  1  0.83  0.11  0.1  1.0
  Ni  Ni22  1  0.01  0.26  0.1  1.0
  Ni  Ni23  1  0.22  0.7  0.43  1.0
  Ni  Ni24  1  0.78  0.7  0.43  1.0
  Ni  Ni25  1  0.0  0.86  0.43  1.0
  Ni  Ni26  1  0.0  0.42  0.44  1.0
  Ni  Ni27  1  0.1  0.21  0.73  1.0
  Ni  Ni28  1  0.56  0.21  0.73  1.0
  Ni  Ni29  1  0.83  0.21  0.73  1.0
  P  P30  1  0.83  0.0  0.0  1.0
  P  P31  1  0.09  0.31  0.0  1.0
  P  P32  1  0.91  0.31  0.0  1.0
  P  P33  1  0.93  0.54  0.89  1.0
  P  P34  1  0.0  0.19  0.89  1.0
  P  P35  1  0.07  0.54  0.89  1.0
  P  P36  1  0.76  0.09  0.46  1.0
  P  P37  1  0.83  0.44  0.46  1.0
  P  P38  1  0.89  0.09  0.46  1.0

data_ZnNi10P3
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.65
_cell_length_b   7.65
_cell_length_c   9.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnNi10P3
_chemical_formula_sum   'Zn3 Ni30 P9'
_cell_volume   474.29
_cell_formula_units_Z   3
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  Zn0  1  -0.0  0.42  0.98  1.0
  Zn  Zn1  1  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.83  0.21  0.37  1.0
  Ni  Ni3  1  -0.0  0.42  0.62  1.0
  Ni  Ni4  1  -0.0  0.42  0.44  1.0
  Ni  Ni5  1  -0.0  0.42  0.61  1.0
  Ni  Ni6  1  -0.0  0.86  0.43  1.0
  Ni  Ni7  1  -0.0  0.52  0.25  1.0
  Ni  Ni8  1  0.0  0.0  0.54  1.0
  Ni  Ni9  1  0.0  0.0  0.8  1.0
  Ni  Ni10  1  0.01  0.26  0.1  1.0
  Ni  Ni11  1  0.05  0.93  0.92  1.0
  Ni  Ni12  1  0.05  0.0  0.67  1.0
  Ni  Ni13  1  0.1  0.21  0.73  1.0
  Ni  Ni14  1  0.19  0.37  0.25  1.0
  Ni  Ni15  1  0.22  0.7  0.43  1.0
  Ni  Ni16  1  0.27  0.42  0.62  1.0
  Ni  Ni17  1  0.3  0.26  0.67  1.0
  Ni  Ni18  1  0.48  0.37  0.67  1.0
  Ni  Ni19  1  0.52  0.37  0.67  1.0
  Ni  Ni20  1  0.56  0.21  0.73  1.0
  Ni  Ni21  1  0.61  0.0  0.67  1.0
  Ni  Ni22  1  0.61  0.93  0.92  1.0
  Ni  Ni23  1  0.64  0.26  0.1  1.0
  Ni  Ni24  1  0.7  0.26  0.67  1.0
  Ni  Ni25  1  0.73  0.42  0.62  1.0
  Ni  Ni26  1  0.78  0.7  0.43  1.0
  Ni  Ni27  1  0.81  0.37  0.25  1.0
  Ni  Ni28  1  0.83  0.11  0.1  1.0
  Ni  Ni29  1  0.83  0.21  0.73  1.0
  Ni  Ni30  1  0.83  0.21  0.74  1.0
  Ni  Ni31  1  0.83  0.21  0.91  1.0
  Ni  Ni32  1  0.83  0.77  0.92  1.0
  P  P33  1  -0.0  0.19  0.89  1.0
  P  P34  1  0.07  0.54  0.89  1.0
  P  P35  1  0.09  0.31  0.0  1.0
  P  P36  1  0.76  0.09  0.46  1.0
  P  P37  1  0.83  0.0  0.0  1.0
  P  P38  1  0.83  0.44  0.46  1.0
  P  P39  1  0.89  0.09  0.46  1.0
  P  P40  1  0.91  0.31  0.0  1.0
  P  P41  1  0.93  0.54  0.89  1.0

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