# generated using pymatgen
data_Zr2P7(IrRu5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.36700838
_cell_length_b   9.41100734
_cell_length_c   3.83727628
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.08896945
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2P7(IrRu5)2
_chemical_formula_sum   'Zr2 P7 Ir2 Ru10'
_cell_volume   292.68513844
_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
  Zr  Zr0  1  0.66821036  0.33389385  0.50000000  1.0
  Zr  Zr1  1  0.32871773  0.66510047  0.00000000  1.0
  P  P2  1  0.59745238  0.71261420  0.50000000  1.0
  P  P3  1  0.99982030  0.00074812  0.00000000  1.0
  P  P4  1  0.28293173  0.88011219  0.50000000  1.0
  P  P5  1  0.11284149  0.40552657  0.50000000  1.0
  P  P6  1  0.88293646  0.58714712  0.00000000  1.0
  P  P7  1  0.41475556  0.29135580  0.00000000  1.0
  P  P8  1  0.70958385  0.12121183  0.00000000  1.0
  Ir  Ir9  1  0.54724171  0.93113747  0.50000000  1.0
  Ir  Ir10  1  0.38312261  0.45202792  0.50000000  1.0
  Ru  Ru11  1  0.89688793  0.13703747  0.50000000  1.0
  Ru  Ru12  1  0.24580375  0.10608781  0.50000000  1.0
  Ru  Ru13  1  0.86197702  0.75979419  0.50000000  1.0
  Ru  Ru14  1  0.72776249  0.88368253  0.00000000  1.0
  Ru  Ru15  1  0.11695411  0.84717455  0.00000000  1.0
  Ru  Ru16  1  0.15717427  0.27105971  0.00000000  1.0
  Ru  Ru17  1  0.44645984  0.06997017  0.00000000  1.0
  Ru  Ru18  1  0.93166508  0.37364680  0.00000000  1.0
  Ru  Ru19  1  0.62632297  0.55494539  0.00000000  1.0
  Ru  Ru20  1  0.06137736  0.61572485  0.50000000  1.0