# generated using pymatgen
data_Ca9Pr3(SiIr)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.80883330
_cell_length_b   7.79636021
_cell_length_c   13.20501530
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.11203876
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca9Pr3(SiIr)8
_chemical_formula_sum   'Ca9 Pr3 Si8 Ir8'
_cell_volume   598.02437740
_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  0.62959734  0.22981724  0.25000000  1.0
  Ca  Ca1  1  0.12401242  0.37947685  0.09996193  1.0
  Ca  Ca2  1  0.87467706  0.61703440  0.90232270  1.0
  Ca  Ca3  1  0.87467706  0.61703440  0.59767730  1.0
  Ca  Ca4  1  0.86726236  0.89132517  0.39924609  1.0
  Ca  Ca5  1  0.12401242  0.37947685  0.40003807  1.0
  Ca  Ca6  1  0.13042093  0.11441539  0.60019352  1.0
  Ca  Ca7  1  0.13042093  0.11441539  0.89980648  1.0
  Ca  Ca8  1  0.86726236  0.89132517  0.10075391  1.0
  Pr  Pr9  1  0.36789044  0.77127777  0.75000000  1.0
  Pr  Pr10  1  0.36519436  0.72208171  0.25000000  1.0
  Pr  Pr11  1  0.63382023  0.27601890  0.75000000  1.0
  Si  Si12  1  0.16432643  0.07794428  0.25000000  1.0
  Si  Si13  1  0.84716417  0.91886863  0.75000000  1.0
  Si  Si14  1  0.84316337  0.57449110  0.25000000  1.0
  Si  Si15  1  0.15161482  0.41783147  0.75000000  1.0
  Si  Si16  1  0.57822156  0.25043426  0.00082481  1.0
  Si  Si17  1  0.42315558  0.75082102  0.99919892  1.0
  Si  Si18  1  0.42315558  0.75082102  0.50080108  1.0
  Si  Si19  1  0.57822156  0.25043426  0.49917519  1.0
  Ir  Ir20  1  0.36342200  0.02083372  0.08998916  1.0
  Ir  Ir21  1  0.63873529  0.97897394  0.90978808  1.0
  Ir  Ir22  1  0.63873529  0.97897394  0.59021192  1.0
  Ir  Ir23  1  0.63631501  0.52405973  0.40970073  1.0
  Ir  Ir24  1  0.36342200  0.02083372  0.41001084  1.0
  Ir  Ir25  1  0.36239273  0.47845996  0.58897817  1.0
  Ir  Ir26  1  0.36239273  0.47845996  0.91102183  1.0
  Ir  Ir27  1  0.63631501  0.52405973  0.09029927  1.0