# generated using pymatgen
data_Sc6ZnSn6Ir5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.47280704
_cell_length_b   7.47280734
_cell_length_c   7.14329891
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999868
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc6ZnSn6Ir5
_chemical_formula_sum   'Sc6 Zn1 Sn6 Ir5'
_cell_volume   345.45940052
_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  0.38721786  0.99023284  0.24293899  1.0
  Sc  Sc1  1  0.60301598  0.61278214  0.24293899  1.0
  Sc  Sc2  1  0.00976716  0.39698402  0.24293899  1.0
  Sc  Sc3  1  0.37992333  0.97780256  0.75709772  1.0
  Sc  Sc4  1  0.59787923  0.62007667  0.75709772  1.0
  Sc  Sc5  1  0.02219744  0.40212077  0.75709772  1.0
  Zn  Zn6  1  0.66666700  0.33333300  0.53247145  1.0
  Sn  Sn7  1  0.28633277  0.27718314  0.99895478  1.0
  Sn  Sn8  1  0.99084937  0.71366723  0.99895478  1.0
  Sn  Sn9  1  0.99687369  0.73434077  0.49845673  1.0
  Sn  Sn10  1  0.73746708  0.00312631  0.49845673  1.0
  Sn  Sn11  1  0.26565923  0.26253292  0.49845673  1.0
  Sn  Sn12  1  0.72281686  0.00915063  0.99895478  1.0
  Ir  Ir13  1  0.00000000  0.00000000  0.76549722  1.0
  Ir  Ir14  1  0.00000000  0.00000000  0.23159885  1.0
  Ir  Ir15  1  0.66666700  0.33333300  0.97876948  1.0
  Ir  Ir16  1  0.33333300  0.66666700  0.49072175  1.0
  Ir  Ir17  1  0.33333300  0.66666700  0.00859856  1.0