# generated using pymatgen
data_Sc5P12Ir19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.56928381
_cell_length_b   12.56901184
_cell_length_c   3.89603157
_cell_angle_alpha   89.99999811
_cell_angle_beta   90.00000666
_cell_angle_gamma   119.99981708
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc5P12Ir19
_chemical_formula_sum   'Sc5 P12 Ir19'
_cell_volume   533.04707873
_cell_formula_units_Z   1
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
  Sc  Sc0  1  0.33335693  0.66670833  0.00000038  1.0
  Sc  Sc1  1  0.66663596  0.33330732  0.00000005  1.0
  Sc  Sc2  1  0.82113449  -0.00001490  0.49999859  1.0
  Sc  Sc3  1  0.00002057  0.82117208  0.50000014  1.0
  Sc  Sc4  1  0.17885850  0.17882310  0.49999487  1.0
  P  P5  1  0.17639699  -0.00000114  -0.00000028  1.0
  P  P6  1  0.00000128  0.17638739  -0.00000050  1.0
  P  P7  1  0.82360572  0.82360607  -0.00000017  1.0
  P  P8  1  0.17101605  0.48395069  0.49999996  1.0
  P  P9  1  0.51605719  0.68707349  0.49999996  1.0
  P  P10  1  0.31293658  0.82899373  0.50000021  1.0
  P  P11  1  0.68705464  0.51605746  0.50000014  1.0
  P  P12  1  0.82897712  0.31292956  0.50000019  1.0
  P  P13  1  0.48394377  0.17101024  0.50000010  1.0
  P  P14  1  0.64696265  -0.00001022  -0.00000012  1.0
  P  P15  1  -0.00000175  0.64698734  0.00000030  1.0
  P  P16  1  0.35303687  0.35302749  -0.00000092  1.0
  Ir  Ir17  1  0.46614254  0.00000123  -0.00000026  1.0
  Ir  Ir18  1  0.00001758  0.46618052  0.00000034  1.0
  Ir  Ir19  1  0.53386635  0.53382677  0.00000087  1.0
  Ir  Ir20  1  0.35887182  0.49541186  0.50000083  1.0
  Ir  Ir21  1  0.50461580  0.86347463  0.49999999  1.0
  Ir  Ir22  1  0.13655762  0.64115962  0.50000059  1.0
  Ir  Ir23  1  0.86343277  0.50459178  0.50000036  1.0
  Ir  Ir24  1  0.64113237  0.13652614  0.49999983  1.0
  Ir  Ir25  1  0.49539377  0.35884491  0.50000081  1.0
  Ir  Ir26  1  0.18081878  0.37157747  0.00000029  1.0
  Ir  Ir27  1  0.62840472  0.80921979  0.00000023  1.0
  Ir  Ir28  1  0.19077992  0.81919773  0.00000035  1.0
  Ir  Ir29  1  0.80922384  0.62842747  0.00000037  1.0
  Ir  Ir30  1  0.81917352  0.19076221  0.00000038  1.0
  Ir  Ir31  1  0.37158649  0.18080676  0.00000015  1.0
  Ir  Ir32  1  0.28498260  -0.00000142  0.50000047  1.0
  Ir  Ir33  1  0.00000412  0.28499512  0.50000003  1.0
  Ir  Ir34  1  0.71500690  0.71500240  0.49999996  1.0
  Ir  Ir35  1  -0.00000703  -0.00001201  -0.00000050  1.0