# generated using pymatgen
data_Ca6Ta3Al13Ir7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.00808774
_cell_length_b   9.00808629
_cell_length_c   9.00810705
_cell_angle_alpha   59.71109222
_cell_angle_beta   59.71113313
_cell_angle_gamma   59.71089786
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca6Ta3Al13Ir7
_chemical_formula_sum   'Ca6 Ta3 Al13 Ir7'
_cell_volume   513.48045619
_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  0.70646570  0.70646570  0.28836237  1.0
  Ca  Ca1  1  0.29563183  0.70429368  0.29563083  1.0
  Ca  Ca2  1  0.70429468  0.29563183  0.29562883  1.0
  Ca  Ca3  1  0.29563083  0.29562983  0.70429568  1.0
  Ca  Ca4  1  0.70646570  0.28836337  0.70646670  1.0
  Ca  Ca5  1  0.28836337  0.70646470  0.70646670  1.0
  Ta  Ta6  1  0.87831824  0.87831824  0.36129590  1.0
  Ta  Ta7  1  0.87831824  0.36129690  0.87831924  1.0
  Ta  Ta8  1  0.36129690  0.87831824  0.87831824  1.0
  Al  Al9  1  0.88245617  0.88245617  0.88245717  1.0
  Al  Al10  1  0.11980449  0.11980449  0.63948771  1.0
  Al  Al11  1  0.11980549  0.63948671  0.11980449  1.0
  Al  Al12  1  0.63948671  0.11980549  0.11980449  1.0
  Al  Al13  1  0.12162075  0.12162075  0.12161975  1.0
  Al  Al14  1  0.67516165  0.67516065  0.98223992  1.0
  Al  Al15  1  0.67515965  0.98223892  0.67516265  1.0
  Al  Al16  1  0.98223892  0.67515965  0.67516265  1.0
  Al  Al17  1  0.67193966  0.67193966  0.67194166  1.0
  Al  Al18  1  0.32654765  0.32654865  0.02225216  1.0
  Al  Al19  1  0.32654965  0.02225316  0.32654665  1.0
  Al  Al20  1  0.02225316  0.32654965  0.32654665  1.0
  Al  Al21  1  0.32608194  0.32608194  0.32608094  1.0
  Ir  Ir22  1  0.00345638  0.00345638  0.00345538  1.0
  Ir  Ir23  1  0.99848049  0.99848149  0.49462735  1.0
  Ir  Ir24  1  0.50300191  0.99506006  0.50300191  1.0
  Ir  Ir25  1  0.99506006  0.50300191  0.50300291  1.0
  Ir  Ir26  1  0.50300191  0.50300191  0.99506106  1.0
  Ir  Ir27  1  0.99848249  0.49462735  0.99848149  1.0
  Ir  Ir28  1  0.49462735  0.99848149  0.99848149  1.0