# generated using pymatgen
data_ZrSc5Ti16Ir7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.98556880
_cell_length_b   8.95682033
_cell_length_c   8.95682032
_cell_angle_alpha   60.21246435
_cell_angle_beta   59.89376751
_cell_angle_gamma   59.89377042
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSc5Ti16Ir7
_chemical_formula_sum   'Zr1 Sc5 Ti16 Ir7'
_cell_volume   509.71724930
_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  0.30503871  0.69496129  0.69496129  1.0
  Sc  Sc1  1  0.69111587  0.69514016  0.30888413  1.0
  Sc  Sc2  1  0.30485984  0.69514016  0.30888413  1.0
  Sc  Sc3  1  0.69545512  0.30454488  0.30454488  1.0
  Sc  Sc4  1  0.30485984  0.30888413  0.69514016  1.0
  Sc  Sc5  1  0.69111587  0.30888413  0.69514016  1.0
  Ti  Ti6  1  0.88206846  0.88238024  0.35348483  1.0
  Ti  Ti7  1  0.88206846  0.35348483  0.88238024  1.0
  Ti  Ti8  1  0.35538566  0.88098513  0.88098513  1.0
  Ti  Ti9  1  0.88264609  0.88098513  0.88098513  1.0
  Ti  Ti10  1  0.11901487  0.11735391  0.64461434  1.0
  Ti  Ti11  1  0.11901487  0.64461434  0.11735391  1.0
  Ti  Ti12  1  0.64651517  0.11793154  0.11793154  1.0
  Ti  Ti13  1  0.11761976  0.11793154  0.11793154  1.0
  Ti  Ti14  1  0.67060872  0.67073912  0.98804144  1.0
  Ti  Ti15  1  0.67060872  0.98804144  0.67073912  1.0
  Ti  Ti16  1  0.98903064  0.67037204  0.67037204  1.0
  Ti  Ti17  1  0.67022328  0.67037204  0.67037204  1.0
  Ti  Ti18  1  0.32962796  0.32977672  0.01096936  1.0
  Ti  Ti19  1  0.32962796  0.01096936  0.32977672  1.0
  Ti  Ti20  1  0.01195856  0.32939128  0.32939128  1.0
  Ti  Ti21  1  0.32926088  0.32939128  0.32939128  1.0
  Ir  Ir22  1  0.00079946  0.99920054  0.99920054  1.0
  Ir  Ir23  1  0.99909777  0.00090223  0.49845221  1.0
  Ir  Ir24  1  0.50154779  0.00090223  0.49845221  1.0
  Ir  Ir25  1  0.00009355  0.49990645  0.49990645  1.0
  Ir  Ir26  1  0.50154779  0.49845221  0.00090223  1.0
  Ir  Ir27  1  0.99909777  0.49845221  0.00090223  1.0
  Ir  Ir28  1  0.50009355  0.99990645  0.99990645  1.0