# generated using pymatgen
data_Ca4Al13Si5Ir6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.43783083
_cell_length_b   7.40992008
_cell_length_c   9.47565078
_cell_angle_alpha   89.94180748
_cell_angle_beta   90.06213428
_cell_angle_gamma   119.89609509
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca4Al13Si5Ir6
_chemical_formula_sum   'Ca4 Al13 Si5 Ir6'
_cell_volume   452.74424592
_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  0.99939493  0.66165993  0.25269470  1.0
  Ca  Ca1  1  0.00611836  0.34224468  0.74963931  1.0
  Ca  Ca2  1  0.67319731  0.00737476  0.25201789  1.0
  Ca  Ca3  1  0.32146815  0.99129211  0.74615057  1.0
  Al  Al4  1  0.12882982  0.12730507  0.25056479  1.0
  Al  Al5  1  0.87179166  0.87151392  0.75045143  1.0
  Al  Al6  1  0.66591481  0.99678453  0.57579439  1.0
  Al  Al7  1  0.66291456  0.99665822  0.92586513  1.0
  Al  Al8  1  0.33784474  0.00352837  0.06979520  1.0
  Al  Al9  1  0.33825097  0.33577903  0.55798161  1.0
  Al  Al10  1  0.66303929  0.66814028  0.44052319  1.0
  Al  Al11  1  0.66247908  0.66768934  0.05871241  1.0
  Al  Al12  1  0.33817074  0.33333187  0.94145991  1.0
  Al  Al13  1  0.33464479  0.54445920  0.25028332  1.0
  Al  Al14  1  0.66295128  0.45156741  0.75058619  1.0
  Al  Al15  1  0.54348503  0.34161330  0.25027952  1.0
  Al  Al16  1  0.45647136  0.65982199  0.74919671  1.0
  Si  Si17  1  0.00224517  0.32698283  0.06622922  1.0
  Si  Si18  1  0.99641107  0.67121023  0.93480826  1.0
  Si  Si19  1  0.99050895  0.66626004  0.56901047  1.0
  Si  Si20  1  0.33945957  0.00730850  0.42515576  1.0
  Si  Si21  1  0.00399001  0.32752292  0.43196863  1.0
  Ir  Ir22  1  0.68735951  0.33802134  0.00353185  1.0
  Ir  Ir23  1  0.31199378  0.66104919  0.99840686  1.0
  Ir  Ir24  1  0.31231226  0.67030771  0.49986304  1.0
  Ir  Ir25  1  0.68112430  0.33213181  0.49794752  1.0
  Ir  Ir26  1  0.00070793  0.99964370  0.00105414  1.0
  Ir  Ir27  1  0.00692258  0.99879972  0.50003397  1.0