data_NiSb3P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.48
_cell_length_b   6.44
_cell_length_c   13.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiSb3P
_chemical_formula_sum   'Ni8 Sb24 P8'
_cell_volume   894.68
_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
  Ni  Ni0  1  0.53  0.61  0.0  1.0
  Ni  Ni1  1  0.94  0.83  0.63  1.0
  Ni  Ni2  1  0.94  0.83  0.0  1.0
  Ni  Ni3  1  0.53  0.61  0.63  1.0
  Ni  Ni4  1  0.89  0.71  0.31  1.0
  Ni  Ni5  1  0.59  0.73  0.94  1.0
  Ni  Ni6  1  0.59  0.93  0.31  1.0
  Ni  Ni7  1  0.89  0.51  0.94  1.0
  Sb  Sb16  1  0.1  0.61  0.0  1.0
  Sb  Sb17  1  0.38  0.83  0.63  1.0
  Sb  Sb18  1  0.38  0.83  0.0  1.0
  Sb  Sb19  1  0.1  0.61  0.63  1.0
  Sb  Sb20  1  0.99  0.61  0.31  1.0
  Sb  Sb21  1  0.49  0.83  0.94  1.0
  Sb  Sb22  1  0.49  0.83  0.31  1.0
  Sb  Sb23  1  0.99  0.61  0.94  1.0
  Sb  Sb24  1  0.12  0.06  0.66  1.0
  Sb  Sb25  1  0.35  0.38  0.29  1.0
  Sb  Sb26  1  0.35  0.28  0.97  1.0
  Sb  Sb27  1  0.12  0.16  0.59  1.0
  Sb  Sb28  1  0.35  0.38  0.59  1.0
  Sb  Sb29  1  0.12  0.06  0.97  1.0
  Sb  Sb30  1  0.12  0.16  0.29  1.0
  Sb  Sb31  1  0.35  0.28  0.66  1.0
  Sb  Sb32  1  0.59  0.61  0.0  1.0
  Sb  Sb33  1  0.88  0.83  0.63  1.0
  Sb  Sb34  1  0.88  0.83  0.0  1.0
  Sb  Sb35  1  0.59  0.61  0.63  1.0
  Sb  Sb36  1  0.01  0.97  0.31  1.0
  Sb  Sb37  1  0.47  0.47  0.94  1.0
  Sb  Sb38  1  0.47  0.75  0.31  1.0
  Sb  Sb39  1  0.01  0.69  0.94  1.0
  P  P8  1  0.72  0.64  0.56  1.0
  P  P9  1  0.76  0.8  0.19  1.0
  P  P10  1  0.76  0.86  0.07  1.0
  P  P11  1  0.72  0.58  0.7  1.0
  P  P12  1  0.76  0.8  0.7  1.0
  P  P13  1  0.72  0.64  0.07  1.0
  P  P14  1  0.72  0.58  0.19  1.0
  P  P15  1  0.76  0.86  0.56  1.0

data_NiSb3P
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.44
_cell_length_b   10.48
_cell_length_c   13.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiSb3P
_chemical_formula_sum   'Ni8 Sb24 P8'
_cell_volume   894.68
_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
  Ni  Ni0  1  0.07  0.41  0.69  1.0
  Ni  Ni1  1  0.17  0.06  0.0  1.0
  Ni  Ni2  1  0.17  0.06  0.37  1.0
  Ni  Ni3  1  0.27  0.41  0.06  1.0
  Ni  Ni4  1  0.29  0.11  0.69  1.0
  Ni  Ni5  1  0.39  0.47  0.0  1.0
  Ni  Ni6  1  0.39  0.47  0.37  1.0
  Ni  Ni7  1  0.49  0.11  0.06  1.0
  Sb  Sb8  1  0.03  0.99  0.69  1.0
  Sb  Sb9  1  0.17  0.51  0.69  1.0
  Sb  Sb10  1  0.17  0.12  0.0  1.0
  Sb  Sb11  1  0.17  0.12  0.37  1.0
  Sb  Sb12  1  0.17  0.62  0.0  1.0
  Sb  Sb13  1  0.17  0.62  0.37  1.0
  Sb  Sb14  1  0.17  0.51  0.06  1.0
  Sb  Sb15  1  0.25  0.53  0.69  1.0
  Sb  Sb16  1  0.31  0.99  0.06  1.0
  Sb  Sb17  1  0.39  0.01  0.69  1.0
  Sb  Sb18  1  0.39  0.41  0.0  1.0
  Sb  Sb19  1  0.39  0.41  0.37  1.0
  Sb  Sb20  1  0.39  0.9  0.0  1.0
  Sb  Sb21  1  0.39  0.9  0.37  1.0
  Sb  Sb22  1  0.39  0.01  0.06  1.0
  Sb  Sb23  1  0.53  0.53  0.06  1.0
  Sb  Sb24  1  0.62  0.65  0.41  1.0
  Sb  Sb25  1  0.62  0.65  0.71  1.0
  Sb  Sb26  1  0.72  0.65  0.03  1.0
  Sb  Sb27  1  0.72  0.65  0.34  1.0
  Sb  Sb28  1  0.84  0.88  0.41  1.0
  Sb  Sb29  1  0.84  0.88  0.71  1.0
  Sb  Sb30  1  0.94  0.88  0.03  1.0
  Sb  Sb31  1  0.94  0.88  0.34  1.0
  P  P32  1  0.14  0.24  0.44  1.0
  P  P33  1  0.14  0.24  0.93  1.0
  P  P34  1  0.2  0.24  0.3  1.0
  P  P35  1  0.2  0.24  0.81  1.0
  P  P36  1  0.36  0.28  0.44  1.0
  P  P37  1  0.36  0.28  0.93  1.0
  P  P38  1  0.42  0.28  0.3  1.0
  P  P39  1  0.42  0.28  0.81  1.0

Ni Ni Ni Ni Ni Ni Ni Ni Sb Sb Sb Sb Sb Sb Sb Sb Sb Sb Sb Sb Sb Sb Sb Sb Sb Sb Sb Sb Sb Sb Sb Sb P P P P P P P P