# generated using pymatgen
data_Ta3Al2IrN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.23301393
_cell_length_b   8.23301465
_cell_length_c   8.23301395
_cell_angle_alpha   59.99999883
_cell_angle_beta   59.99999596
_cell_angle_gamma   59.99999790
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta3Al2IrN
_chemical_formula_sum   'Ta12 Al8 Ir4 N4'
_cell_volume   394.60407679
_cell_formula_units_Z   4
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
  Ta  Ta0  1  0.56470476  0.93529524  0.56470476  1.0
  Ta  Ta1  1  0.31470476  0.68529524  0.68529524  1.0
  Ta  Ta2  1  0.68529524  0.31470476  0.31470476  1.0
  Ta  Ta3  1  0.31470476  0.68529524  0.31470476  1.0
  Ta  Ta4  1  0.68529524  0.68529524  0.31470476  1.0
  Ta  Ta5  1  0.31470476  0.31470476  0.68529524  1.0
  Ta  Ta6  1  0.56470476  0.56470476  0.93529524  1.0
  Ta  Ta7  1  0.93529524  0.56470476  0.56470476  1.0
  Ta  Ta8  1  0.56470476  0.93529524  0.93529524  1.0
  Ta  Ta9  1  0.93529524  0.93529524  0.56470476  1.0
  Ta  Ta10  1  0.68529524  0.31470476  0.68529524  1.0
  Ta  Ta11  1  0.93529524  0.56470476  0.93529524  1.0
  Al  Al12  1  0.91659273  0.91659273  0.91659273  1.0
  Al  Al13  1  0.99977718  0.33340727  0.33340727  1.0
  Al  Al14  1  0.33340727  0.99977718  0.33340727  1.0
  Al  Al15  1  0.33340727  0.33340727  0.99977718  1.0
  Al  Al16  1  0.91659273  0.25022282  0.91659273  1.0
  Al  Al17  1  0.91659273  0.91659273  0.25022282  1.0
  Al  Al18  1  0.25022282  0.91659273  0.91659273  1.0
  Al  Al19  1  0.33340727  0.33340727  0.33340727  1.0
  Ir  Ir20  1  0.12500000  0.12500000  0.12500000  1.0
  Ir  Ir21  1  0.62500000  0.12500000  0.12500000  1.0
  Ir  Ir22  1  0.12500000  0.62500000  0.12500000  1.0
  Ir  Ir23  1  0.12500000  0.12500000  0.62500000  1.0
  N  N24  1  0.62500000  0.62500000  0.62500000  1.0
  N  N25  1  0.12500000  0.62500000  0.62500000  1.0
  N  N26  1  0.62500000  0.12500000  0.62500000  1.0
  N  N27  1  0.62500000  0.62500000  0.12500000  1.0