# generated using pymatgen
data_Ca3Al12IrOs3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.81893032
_cell_length_b   8.81893053
_cell_length_c   9.58055510
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99256706
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3Al12IrOs3
_chemical_formula_sum   'Ca6 Al24 Ir2 Os6'
_cell_volume   645.33565522
_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  0.19121277  0.38687608  0.25000000  1.0
  Ca  Ca1  1  0.80878723  0.61312392  0.75000000  1.0
  Ca  Ca2  1  0.61312392  0.80878723  0.25000000  1.0
  Ca  Ca3  1  0.38687608  0.19121277  0.75000000  1.0
  Ca  Ca4  1  0.19493228  0.80506772  0.25000000  1.0
  Ca  Ca5  1  0.80506772  0.19493228  0.75000000  1.0
  Al  Al6  1  0.33295842  0.66704158  0.99603651  1.0
  Al  Al7  1  0.66704158  0.33295842  0.00396349  1.0
  Al  Al8  1  0.66704158  0.33295842  0.49603651  1.0
  Al  Al9  1  0.33295842  0.66704158  0.50396349  1.0
  Al  Al10  1  0.16130504  0.32451338  0.57322852  1.0
  Al  Al11  1  0.83869496  0.67548662  0.42677148  1.0
  Al  Al12  1  0.67548662  0.83869496  0.57322852  1.0
  Al  Al13  1  0.83869496  0.67548662  0.07322852  1.0
  Al  Al14  1  0.32451338  0.16130504  0.42677148  1.0
  Al  Al15  1  0.16130504  0.32451338  0.92677148  1.0
  Al  Al16  1  0.16260927  0.83739073  0.57032386  1.0
  Al  Al17  1  0.32451338  0.16130504  0.07322852  1.0
  Al  Al18  1  0.83739073  0.16260927  0.42967614  1.0
  Al  Al19  1  0.67548662  0.83869496  0.92677148  1.0
  Al  Al20  1  0.83739073  0.16260927  0.07032386  1.0
  Al  Al21  1  0.16260927  0.83739073  0.92967614  1.0
  Al  Al22  1  0.55978165  0.12368033  0.25000000  1.0
  Al  Al23  1  0.44021835  0.87631967  0.75000000  1.0
  Al  Al24  1  0.87631967  0.44021835  0.25000000  1.0
  Al  Al25  1  0.12368033  0.55978165  0.75000000  1.0
  Al  Al26  1  0.56122027  0.43877973  0.25000000  1.0
  Al  Al27  1  0.43877973  0.56122027  0.75000000  1.0
  Al  Al28  1  0.00083108  0.99916892  0.25000000  1.0
  Al  Al29  1  0.99916892  0.00083108  0.75000000  1.0
  Ir  Ir30  1  0.50000000  0.50000000  0.00000000  1.0
  Ir  Ir31  1  0.50000000  0.50000000  0.50000000  1.0
  Os  Os32  1  0.50000000  0.00000000  0.00000000  1.0
  Os  Os33  1  0.00000000  0.50000000  0.00000000  1.0
  Os  Os34  1  0.50000000  0.00000000  0.50000000  1.0
  Os  Os35  1  0.00000000  0.50000000  0.50000000  1.0
  Os  Os36  1  0.00000000  0.00000000  0.00000000  1.0
  Os  Os37  1  0.00000000  0.00000000  0.50000000  1.0