# generated using pymatgen
data_Zr6InSn5Ir6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.37816436
_cell_length_b   7.38311897
_cell_length_c   7.33438790
_cell_angle_alpha   90.10601174
_cell_angle_beta   89.99975613
_cell_angle_gamma   119.97765582
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr6InSn5Ir6
_chemical_formula_sum   'Zr6 In1 Sn5 Ir6'
_cell_volume   346.08234923
_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  0.40587688  0.01668288  0.24838581  1.0
  Zr  Zr1  1  0.98152442  0.38589341  0.24823341  1.0
  Zr  Zr2  1  0.61265560  0.59868834  0.24693504  1.0
  Zr  Zr3  1  0.38914537  0.98318798  0.75161598  1.0
  Zr  Zr4  1  0.59553794  0.61414362  0.75176908  1.0
  Zr  Zr5  1  0.01406445  0.40138681  0.75308181  1.0
  In  In6  1  0.73098591  0.00007868  0.99999363  1.0
  Sn  Sn7  1  0.99902984  0.73386345  0.99952292  1.0
  Sn  Sn8  1  0.26526275  0.26604900  0.00045528  1.0
  Sn  Sn9  1  0.00029219  0.72569294  0.50003022  1.0
  Sn  Sn10  1  0.27468362  0.27422133  0.49998258  1.0
  Sn  Sn11  1  0.72884577  0.00009442  0.50000728  1.0
  Ir  Ir12  1  0.32886376  0.66338951  0.03267843  1.0
  Ir  Ir13  1  0.66547662  0.33661073  0.96730624  1.0
  Ir  Ir14  1  0.66733175  0.33284240  0.53774538  1.0
  Ir  Ir15  1  0.33449697  0.66716674  0.46226862  1.0
  Ir  Ir16  1  0.00295420  0.00007754  0.25552101  1.0
  Ir  Ir17  1  0.00287396  0.99992620  0.74447526  1.0