# generated using pymatgen
data_Ca3Al12Ir3Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.80811667
_cell_length_b   8.80811699
_cell_length_c   9.55297379
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999880
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3Al12Ir3Os
_chemical_formula_sum   'Ca6 Al24 Ir6 Os2'
_cell_volume   641.85267550
_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  0.19308162  0.38616323  0.25000000  1.0
  Ca  Ca1  1  0.80691838  0.61383677  0.75000000  1.0
  Ca  Ca2  1  0.61383677  0.80691838  0.25000000  1.0
  Ca  Ca3  1  0.38616323  0.19308162  0.75000000  1.0
  Ca  Ca4  1  0.19308162  0.80691838  0.25000000  1.0
  Ca  Ca5  1  0.80691838  0.19308162  0.75000000  1.0
  Al  Al6  1  0.33333300  0.66666700  0.99911293  1.0
  Al  Al7  1  0.66666700  0.33333300  0.00088707  1.0
  Al  Al8  1  0.66666700  0.33333300  0.49911293  1.0
  Al  Al9  1  0.33333300  0.66666700  0.50088707  1.0
  Al  Al10  1  0.16188206  0.32376313  0.57614004  1.0
  Al  Al11  1  0.83811794  0.67623687  0.42385996  1.0
  Al  Al12  1  0.67623687  0.83811794  0.57614004  1.0
  Al  Al13  1  0.83811794  0.67623687  0.07614004  1.0
  Al  Al14  1  0.32376313  0.16188206  0.42385996  1.0
  Al  Al15  1  0.16188206  0.32376313  0.92385996  1.0
  Al  Al16  1  0.16188206  0.83811794  0.57614004  1.0
  Al  Al17  1  0.32376313  0.16188206  0.07614004  1.0
  Al  Al18  1  0.83811794  0.16188206  0.42385996  1.0
  Al  Al19  1  0.67623687  0.83811794  0.92385996  1.0
  Al  Al20  1  0.83811794  0.16188206  0.07614004  1.0
  Al  Al21  1  0.16188206  0.83811794  0.92385996  1.0
  Al  Al22  1  0.56178609  0.12357218  0.25000000  1.0
  Al  Al23  1  0.43821391  0.87642782  0.75000000  1.0
  Al  Al24  1  0.87642782  0.43821391  0.25000000  1.0
  Al  Al25  1  0.12357218  0.56178609  0.75000000  1.0
  Al  Al26  1  0.56178609  0.43821391  0.25000000  1.0
  Al  Al27  1  0.43821391  0.56178609  0.75000000  1.0
  Al  Al28  1  0.00000000  0.00000000  0.25000000  1.0
  Al  Al29  1  0.00000000  0.00000000  0.75000000  1.0
  Ir  Ir30  1  0.50000000  0.00000000  0.00000000  1.0
  Ir  Ir31  1  0.00000000  0.50000000  0.00000000  1.0
  Ir  Ir32  1  0.50000000  0.00000000  0.50000000  1.0
  Ir  Ir33  1  0.50000000  0.50000000  0.00000000  1.0
  Ir  Ir34  1  0.00000000  0.50000000  0.50000000  1.0
  Ir  Ir35  1  0.50000000  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