# generated using pymatgen
data_CaAl10IrRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.82998807
_cell_length_b   6.82998761
_cell_length_c   9.09858534
_cell_angle_alpha   89.96160339
_cell_angle_beta   90.03839898
_cell_angle_gamma   96.86982157
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaAl10IrRu
_chemical_formula_sum   'Ca2 Al20 Ir2 Ru2'
_cell_volume   421.39006105
_cell_formula_units_Z   2
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  0.87508805  0.12491195  0.75009941  1.0
  Ca  Ca1  1  0.12491195  0.87508805  0.24990059  1.0
  Al  Al2  1  0.58875204  0.85871976  0.25181153  1.0
  Al  Al3  1  0.77864587  0.52070569  0.25232130  1.0
  Al  Al4  1  0.15921046  0.84078954  0.89714365  1.0
  Al  Al5  1  0.41124796  0.14128024  0.74818847  1.0
  Al  Al6  1  0.62108678  0.37891322  0.94889041  1.0
  Al  Al7  1  0.84100725  0.15899275  0.40085659  1.0
  Al  Al8  1  0.77596946  0.77596946  1.00000000  1.0
  Al  Al9  1  0.85871976  0.58875204  0.74818847  1.0
  Al  Al10  1  0.84078954  0.15921046  0.10285635  1.0
  Al  Al11  1  0.22135413  0.47929431  0.74767870  1.0
  Al  Al12  1  0.15899275  0.84100725  0.59914341  1.0
  Al  Al13  1  0.77481877  0.77481877  0.50000000  1.0
  Al  Al14  1  0.47929431  0.22135413  0.25232130  1.0
  Al  Al15  1  0.62304574  0.37695426  0.54957699  1.0
  Al  Al16  1  0.22518123  0.22518123  0.50000000  1.0
  Al  Al17  1  0.37695426  0.62304574  0.45042301  1.0
  Al  Al18  1  0.14128024  0.41124796  0.25181153  1.0
  Al  Al19  1  0.52070569  0.77864587  0.74767870  1.0
  Al  Al20  1  0.37891322  0.62108678  0.05110959  1.0
  Al  Al21  1  0.22403054  0.22403054  0.00000000  1.0
  Ir  Ir22  1  0.50000000  0.00000000  0.00000000  1.0
  Ir  Ir23  1  0.00000000  0.50000000  0.00000000  1.0
  Ru  Ru24  1  0.50000000  0.00000000  0.50000000  1.0
  Ru  Ru25  1  0.00000000  0.50000000  0.50000000  1.0