# generated using pymatgen
data_Nd2P7(IrRu)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.54729873
_cell_length_b   9.54729735
_cell_length_c   3.90612445
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999121
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd2P7(IrRu)6
_chemical_formula_sum   'Nd2 P7 Ir6 Ru6'
_cell_volume   308.34556477
_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  0.00000000  0.00000000  0.00000000  1.0
  Nd  Nd1  1  0.33333300  0.66666700  0.50000000  1.0
  P  P2  1  0.78118880  0.73353395  0.50000000  1.0
  P  P3  1  0.26646605  0.04765485  0.50000000  1.0
  P  P4  1  0.95234515  0.21881120  0.50000000  1.0
  P  P5  1  0.66666700  0.33333300  0.00000000  1.0
  P  P6  1  0.06875611  0.61995383  0.00000000  1.0
  P  P7  1  0.38004617  0.44880228  0.00000000  1.0
  P  P8  1  0.55119772  0.93124389  0.00000000  1.0
  Ir  Ir9  1  0.11231914  0.39949502  0.00000000  1.0
  Ir  Ir10  1  0.60050498  0.71282212  0.00000000  1.0
  Ir  Ir11  1  0.28717788  0.88768086  0.00000000  1.0
  Ir  Ir12  1  0.05051861  0.77883882  0.50000000  1.0
  Ir  Ir13  1  0.22116118  0.27167779  0.50000000  1.0
  Ir  Ir14  1  0.72832221  0.94948139  0.50000000  1.0
  Ru  Ru15  1  0.81899370  0.60122418  0.00000000  1.0
  Ru  Ru16  1  0.39877582  0.21777152  0.00000000  1.0
  Ru  Ru17  1  0.78222848  0.18100630  0.00000000  1.0
  Ru  Ru18  1  0.92172541  0.44267391  0.50000000  1.0
  Ru  Ru19  1  0.55732609  0.47905051  0.50000000  1.0
  Ru  Ru20  1  0.52094949  0.07827459  0.50000000  1.0