# generated using pymatgen
data_Ca6Sc5Al11Ir7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.14416913
_cell_length_b   9.14416948
_cell_length_c   9.16531512
_cell_angle_alpha   60.07628928
_cell_angle_beta   60.07628927
_cell_angle_gamma   59.99999578
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca6Sc5Al11Ir7
_chemical_formula_sum   'Ca6 Sc5 Al11 Ir7'
_cell_volume   542.52622407
_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  0.69951662  0.69951662  0.30171325  1.0
  Ca  Ca1  1  0.29925151  0.69951662  0.30171325  1.0
  Ca  Ca2  1  0.69951662  0.29925151  0.30171325  1.0
  Ca  Ca3  1  0.30144325  0.30144325  0.70187583  1.0
  Ca  Ca4  1  0.69523868  0.30144325  0.70187583  1.0
  Ca  Ca5  1  0.30144325  0.69523868  0.70187583  1.0
  Sc  Sc6  1  0.88135069  0.88135069  0.35594792  1.0
  Sc  Sc7  1  0.87632227  0.35980668  0.88754878  1.0
  Sc  Sc8  1  0.35980668  0.87632227  0.88754878  1.0
  Sc  Sc9  1  0.87632227  0.87632227  0.88754878  1.0
  Sc  Sc10  1  0.12310170  0.12310170  0.63069389  1.0
  Al  Al11  1  0.12230978  0.63605011  0.11933033  1.0
  Al  Al12  1  0.63605011  0.12230978  0.11933033  1.0
  Al  Al13  1  0.12230978  0.12230978  0.11933033  1.0
  Al  Al14  1  0.67073122  0.67073122  0.98780335  1.0
  Al  Al15  1  0.67208513  0.98370589  0.67212285  1.0
  Al  Al16  1  0.98370589  0.67208513  0.67212285  1.0
  Al  Al17  1  0.67208513  0.67208513  0.67212285  1.0
  Al  Al18  1  0.32704139  0.32704139  0.01887582  1.0
  Al  Al19  1  0.33066739  0.01862968  0.32003554  1.0
  Al  Al20  1  0.01862968  0.33066739  0.32003554  1.0
  Al  Al21  1  0.33066739  0.33066739  0.32003554  1.0
  Ir  Ir22  1  0.99960655  0.99960655  0.00118035  1.0
  Ir  Ir23  1  0.00109824  0.00109824  0.49731433  1.0
  Ir  Ir24  1  0.50048819  0.00109824  0.49731433  1.0
  Ir  Ir25  1  0.00109824  0.50048819  0.49731433  1.0
  Ir  Ir26  1  0.49848771  0.49848771  0.00189264  1.0
  Ir  Ir27  1  0.00113193  0.49848771  0.00189264  1.0
  Ir  Ir28  1  0.49848771  0.00113193  0.00189264  1.0