# generated using pymatgen
data_Li2P7(IrRu)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.31770170
_cell_length_b   9.31771841
_cell_length_c   3.90646280
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99959009
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2P7(IrRu)6
_chemical_formula_sum   'Li2 P7 Ir6 Ru6'
_cell_volume   293.72066494
_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
  Li  Li0  1  0.33333153  0.66666540  0.00000000  1.0
  Li  Li1  1  0.00001209  0.00000811  0.50000000  1.0
  P  P2  1  0.78878472  0.02885424  0.00000000  1.0
  P  P3  1  0.97114580  0.75992937  0.00000000  1.0
  P  P4  1  0.24006234  0.21120913  0.00000000  1.0
  P  P5  1  0.38976037  0.92822233  0.50000000  1.0
  P  P6  1  0.07177797  0.46153951  0.50000000  1.0
  P  P7  1  0.53846010  0.61024037  0.50000000  1.0
  P  P8  1  0.66667666  0.33334330  0.00000000  1.0
  Ir  Ir9  1  0.02907146  0.26548442  0.00000000  1.0
  Ir  Ir10  1  0.73451042  0.76358090  0.00000000  1.0
  Ir  Ir11  1  0.23641315  0.97092525  0.00000000  1.0
  Ir  Ir12  1  0.61549170  0.88510212  0.50000000  1.0
  Ir  Ir13  1  0.11490379  0.73038865  0.50000000  1.0
  Ir  Ir14  1  0.26961160  0.38451099  0.50000000  1.0
  Ru  Ru15  1  0.56211076  0.06042993  0.00000000  1.0
  Ru  Ru16  1  0.93957839  0.50168772  0.00000000  1.0
  Ru  Ru17  1  0.49831530  0.43788667  0.00000000  1.0
  Ru  Ru18  1  0.79768041  0.25377746  0.50000000  1.0
  Ru  Ru19  1  0.74621749  0.54389172  0.50000000  1.0
  Ru  Ru20  1  0.45608395  0.20232239  0.50000000  1.0