# generated using pymatgen
data_In3Sn11(Ir2Ru)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.16880714
_cell_length_b   8.16154803
_cell_length_c   8.16154724
_cell_angle_alpha   110.24713688
_cell_angle_beta   109.55591625
_cell_angle_gamma   108.57961908
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In3Sn11(Ir2Ru)2
_chemical_formula_sum   'In3 Sn11 Ir4 Ru2'
_cell_volume   418.96543870
_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
  In  In0  1  0.25192920  0.75102862  0.50089958  1.0
  In  In1  1  0.75148616  0.25043664  0.50104953  1.0
  In  In2  1  0.75275045  0.50197057  0.25077988  1.0
  Sn  Sn3  1  0.25385884  0.50277178  0.75108606  1.0
  Sn  Sn4  1  0.50614811  0.75251895  0.25356777  1.0
  Sn  Sn5  1  0.50614811  0.25258033  0.75362916  1.0
  Sn  Sn6  1  0.99638335  0.99632547  0.32201878  1.0
  Sn  Sn7  1  0.67560697  0.99972364  0.99820535  1.0
  Sn  Sn8  1  0.99638335  0.67436457  0.00005688  1.0
  Sn  Sn9  1  0.32545855  0.32550836  0.32544080  1.0
  Sn  Sn10  1  0.99526138  0.32220654  0.99801256  1.0
  Sn  Sn11  1  0.67560697  0.67740062  0.67588233  1.0
  Sn  Sn12  1  0.32545855  0.00001876  0.99995220  1.0
  Sn  Sn13  1  0.99526138  0.99724882  0.67305584  1.0
  Ir  Ir14  1  0.34065699  0.00007823  0.34057876  1.0
  Ir  Ir15  1  0.00394378  0.34138545  0.34497633  1.0
  Ir  Ir16  1  0.00394378  0.65896746  0.66255733  1.0
  Ir  Ir17  1  0.33697909  0.34057948  0.99639961  1.0
  Ru  Ru18  1  0.65106930  0.65467933  0.99638997  1.0
  Ru  Ru19  1  0.65566969  0.00020841  0.65546128  1.0