# generated using pymatgen
data_Sc2P7(IrRu5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.28800313
_cell_length_b   9.35413656
_cell_length_c   3.89123113
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.13991740
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2P7(IrRu5)2
_chemical_formula_sum   'Sc2 P7 Ir2 Ru10'
_cell_volume   292.36789302
_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  0.66837965  0.33373532  0.50000000  1.0
  Sc  Sc1  1  0.32993337  0.66524399  0.00000000  1.0
  P  P2  1  0.59869632  0.71721059  0.50000000  1.0
  P  P3  1  0.00023880  0.00068305  0.00000000  1.0
  P  P4  1  0.27782650  0.87689658  0.50000000  1.0
  P  P5  1  0.11582880  0.40444452  0.50000000  1.0
  P  P6  1  0.88276347  0.57381804  0.00000000  1.0
  P  P7  1  0.42762307  0.30402479  0.00000000  1.0
  P  P8  1  0.69721631  0.12129076  0.00000000  1.0
  Ir  Ir9  1  0.54832224  0.93931281  0.50000000  1.0
  Ir  Ir10  1  0.38993315  0.45023593  0.50000000  1.0
  Ru  Ru11  1  0.91470474  0.12613220  0.50000000  1.0
  Ru  Ru12  1  0.21544842  0.08827401  0.50000000  1.0
  Ru  Ru13  1  0.87418534  0.78989481  0.50000000  1.0
  Ru  Ru14  1  0.72514723  0.89088705  0.00000000  1.0
  Ru  Ru15  1  0.10988727  0.83743416  0.00000000  1.0
  Ru  Ru16  1  0.16678210  0.27300718  0.00000000  1.0
  Ru  Ru17  1  0.43298171  0.06874075  0.00000000  1.0
  Ru  Ru18  1  0.93355412  0.36156630  0.00000000  1.0
  Ru  Ru19  1  0.63835091  0.56855221  0.00000000  1.0
  Ru  Ru20  1  0.05219648  0.60861393  0.50000000  1.0