# generated using pymatgen
data_Nd2P7(IrRu5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.39759122
_cell_length_b   9.45239162
_cell_length_c   3.95924872
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.09353661
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd2P7(IrRu5)2
_chemical_formula_sum   'Nd2 P7 Ir2 Ru10'
_cell_volume   304.29271992
_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
  Nd  Nd0  1  0.66792304  0.33372681  0.50000000  1.0
  Nd  Nd1  1  0.33052221  0.66551038  0.00000000  1.0
  P  P2  1  0.60358738  0.71378007  0.50000000  1.0
  P  P3  1  0.99963263  0.00036251  0.00000000  1.0
  P  P4  1  0.28125662  0.88567799  0.50000000  1.0
  P  P5  1  0.10758449  0.39837254  0.50000000  1.0
  P  P6  1  0.88983850  0.58011272  0.00000000  1.0
  P  P7  1  0.42104501  0.30442986  0.00000000  1.0
  P  P8  1  0.69600658  0.11486421  0.00000000  1.0
  Ir  Ir9  1  0.55652245  0.94565698  0.50000000  1.0
  Ir  Ir10  1  0.38834876  0.44200376  0.50000000  1.0
  Ru  Ru11  1  0.91383480  0.12419821  0.50000000  1.0
  Ru  Ru12  1  0.21390613  0.08849941  0.50000000  1.0
  Ru  Ru13  1  0.87570924  0.79125209  0.50000000  1.0
  Ru  Ru14  1  0.72893221  0.89158563  0.00000000  1.0
  Ru  Ru15  1  0.10919525  0.84075873  0.00000000  1.0
  Ru  Ru16  1  0.16298112  0.26897271  0.00000000  1.0
  Ru  Ru17  1  0.42844022  0.06469569  0.00000000  1.0
  Ru  Ru18  1  0.93708676  0.36113486  0.00000000  1.0
  Ru  Ru19  1  0.63831603  0.57279844  0.00000000  1.0
  Ru  Ru20  1  0.04933156  0.61160841  0.50000000  1.0