# generated using pymatgen
data_Ta6Al3IrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.99413568
_cell_length_b   6.97883778
_cell_length_c   7.01338615
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.47165008
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta6Al3IrN2
_chemical_formula_sum   'Ta12 Al6 Ir2 N4'
_cell_volume   342.31836029
_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
  Ta  Ta0  1  0.79254174  0.95583043  0.37513796  1.0
  Ta  Ta1  1  0.70745826  0.04416957  0.87513796  1.0
  Ta  Ta2  1  0.20610480  0.45488516  0.12635324  1.0
  Ta  Ta3  1  0.29389520  0.54511484  0.62635324  1.0
  Ta  Ta4  1  0.95589782  0.38194825  0.79062259  1.0
  Ta  Ta5  1  0.04564005  0.87281295  0.70617144  1.0
  Ta  Ta6  1  0.45435995  0.12718705  0.20617144  1.0
  Ta  Ta7  1  0.54410218  0.61805175  0.29062259  1.0
  Ta  Ta8  1  0.37833122  0.79305269  0.95627024  1.0
  Ta  Ta9  1  0.87391751  0.70704255  0.04549702  1.0
  Ta  Ta10  1  0.12166878  0.20694731  0.45627024  1.0
  Ta  Ta11  1  0.62608249  0.29295745  0.54549702  1.0
  Al  Al12  1  0.82216690  0.32172032  0.17637568  1.0
  Al  Al13  1  0.67783310  0.67827968  0.67637568  1.0
  Al  Al14  1  0.56236785  0.42305069  0.92705324  1.0
  Al  Al15  1  0.42193452  0.93125301  0.56991231  1.0
  Al  Al16  1  0.93763215  0.57694931  0.42705324  1.0
  Al  Al17  1  0.07806548  0.06874699  0.06991231  1.0
  Ir  Ir18  1  0.18183730  0.82525846  0.31846723  1.0
  Ir  Ir19  1  0.31816270  0.17474154  0.81846723  1.0
  N  N20  1  0.87755357  0.12159783  0.62839298  1.0
  N  N21  1  0.62244643  0.87840217  0.12839298  1.0
  N  N22  1  0.12915626  0.62741020  0.87974607  1.0
  N  N23  1  0.37084374  0.37258980  0.37974607  1.0