# generated using pymatgen
data_Ti2NiP5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.32164533
_cell_length_b   11.12746732
_cell_length_c   12.40654873
_cell_angle_alpha   89.99947037
_cell_angle_beta   89.99999755
_cell_angle_gamma   90.00001060
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2NiP5
_chemical_formula_sum   'Ti8 Ni4 P20'
_cell_volume   458.56464911
_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
  Ti  Ti0  1  0.74999990  0.40372746  0.26593026  1.0
  Ti  Ti1  1  0.25000047  0.59628129  0.73407382  1.0
  Ti  Ti2  1  0.75000012  0.90371767  0.23408348  1.0
  Ti  Ti3  1  0.25000045  0.09627579  0.76591347  1.0
  Ti  Ti4  1  0.74999974  0.15616461  0.09896890  1.0
  Ti  Ti5  1  0.25000012  0.84383466  0.90104212  1.0
  Ti  Ti6  1  0.74999997  0.65617038  0.40103853  1.0
  Ti  Ti7  1  0.24999996  0.34383272  0.59895445  1.0
  Ni  Ni8  1  0.74999976  0.15517656  0.32929588  1.0
  Ni  Ni9  1  0.24999970  0.84481732  0.67069872  1.0
  Ni  Ni10  1  0.74999971  0.65518545  0.17072914  1.0
  Ni  Ni11  1  0.24999983  0.34480970  0.82928655  1.0
  P  P12  1  0.75000012  0.43357201  0.46467113  1.0
  P  P13  1  0.25000008  0.56643465  0.53532819  1.0
  P  P14  1  0.75000016  0.93356797  0.03533121  1.0
  P  P15  1  0.24999996  0.06642783  0.96466977  1.0
  P  P16  1  0.75000000  0.42614717  0.73127411  1.0
  P  P17  1  0.24999993  0.57386394  0.26872617  1.0
  P  P18  1  0.74999974  0.92614849  0.76870806  1.0
  P  P19  1  0.25000006  0.07384823  0.23129030  1.0
  P  P20  1  0.75000006  0.21727809  0.88687247  1.0
  P  P21  1  0.24999990  0.78271682  0.11311665  1.0
  P  P22  1  0.74999980  0.71730376  0.61309311  1.0
  P  P23  1  0.24999991  0.28270530  0.38690400  1.0
  P  P24  1  0.75000032  0.17565008  0.62549848  1.0
  P  P25  1  0.25000000  0.82435300  0.37451023  1.0
  P  P26  1  0.75000031  0.67563731  0.87449148  1.0
  P  P27  1  0.24999993  0.32436170  0.12551402  1.0
  P  P28  1  0.74999994  0.06230866  0.48223148  1.0
  P  P29  1  0.24999998  0.93768529  0.51776814  1.0
  P  P30  1  0.75000012  0.56232398  0.01775658  1.0
  P  P31  1  0.24999994  0.43767411  0.98223109  1.0