# generated using pymatgen
data_Ca2Si7(Ir3Ru)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.58410005
_cell_length_b   9.58410042
_cell_length_c   3.94059862
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999376
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2Si7(Ir3Ru)3
_chemical_formula_sum   'Ca2 Si7 Ir9 Ru3'
_cell_volume   313.46969000
_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
  Ca  Ca0  1  0.33333300  0.66666700  0.73802197  1.0
  Ca  Ca1  1  0.66666700  0.33333300  0.23809863  1.0
  Si  Si2  1  0.00000000  0.00000000  0.73831659  1.0
  Si  Si3  1  0.28633502  0.88962536  0.23808501  1.0
  Si  Si4  1  0.60329034  0.71366498  0.23808501  1.0
  Si  Si5  1  0.11037464  0.39670966  0.23808501  1.0
  Si  Si6  1  0.70126837  0.11709171  0.73803810  1.0
  Si  Si7  1  0.41582335  0.29873163  0.73803810  1.0
  Si  Si8  1  0.88290829  0.58417665  0.73803810  1.0
  Ir  Ir9  1  0.72552916  0.88507622  0.73810587  1.0
  Ir  Ir10  1  0.15954706  0.27447084  0.73810587  1.0
  Ir  Ir11  1  0.11492378  0.84045294  0.73810587  1.0
  Ir  Ir12  1  0.04930892  0.61034359  0.23809638  1.0
  Ir  Ir13  1  0.56103367  0.95069108  0.23809638  1.0
  Ir  Ir14  1  0.38965641  0.43896633  0.23809638  1.0
  Ir  Ir15  1  0.93899653  0.36782584  0.73809131  1.0
  Ir  Ir16  1  0.42882931  0.06100347  0.73809131  1.0
  Ir  Ir17  1  0.63217416  0.57117069  0.73809131  1.0
  Ru  Ru18  1  0.20838171  0.09110208  0.23810460  1.0
  Ru  Ru19  1  0.88272037  0.79161829  0.23810460  1.0
  Ru  Ru20  1  0.90889792  0.11727963  0.23810460  1.0