# generated using pymatgen
data_Ta3AlIr2N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.27003123
_cell_length_b   8.27003107
_cell_length_c   8.27003182
_cell_angle_alpha   60.00000881
_cell_angle_beta   60.00000946
_cell_angle_gamma   60.00000339
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta3AlIr2N
_chemical_formula_sum   'Ta12 Al4 Ir8 N4'
_cell_volume   399.95077702
_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  0.81172657  0.81172657  0.18827343  1.0
  Ta  Ta1  1  0.18827343  0.18827343  0.81172657  1.0
  Ta  Ta2  1  0.81172657  0.18827343  0.81172657  1.0
  Ta  Ta3  1  0.18827343  0.81172657  0.18827343  1.0
  Ta  Ta4  1  0.18827343  0.81172657  0.81172657  1.0
  Ta  Ta5  1  0.81172657  0.18827343  0.18827343  1.0
  Ta  Ta6  1  0.43827343  0.43827343  0.06172657  1.0
  Ta  Ta7  1  0.06172657  0.06172657  0.43827343  1.0
  Ta  Ta8  1  0.43827343  0.06172657  0.43827343  1.0
  Ta  Ta9  1  0.06172657  0.43827343  0.06172657  1.0
  Ta  Ta10  1  0.06172657  0.43827343  0.43827343  1.0
  Ta  Ta11  1  0.43827343  0.06172657  0.06172657  1.0
  Al  Al12  1  0.12500000  0.62500000  0.62500000  1.0
  Al  Al13  1  0.62500000  0.12500000  0.62500000  1.0
  Al  Al14  1  0.62500000  0.62500000  0.12500000  1.0
  Al  Al15  1  0.62500000  0.62500000  0.62500000  1.0
  Ir  Ir16  1  0.77205114  0.40931662  0.40931662  1.0
  Ir  Ir17  1  0.40931662  0.77205114  0.40931662  1.0
  Ir  Ir18  1  0.40931662  0.40931662  0.77205114  1.0
  Ir  Ir19  1  0.40931662  0.40931662  0.40931662  1.0
  Ir  Ir20  1  0.47794886  0.84068338  0.84068338  1.0
  Ir  Ir21  1  0.84068338  0.47794886  0.84068338  1.0
  Ir  Ir22  1  0.84068338  0.84068338  0.47794886  1.0
  Ir  Ir23  1  0.84068338  0.84068338  0.84068338  1.0
  N  N24  1  0.62500000  0.12500000  0.12500000  1.0
  N  N25  1  0.12500000  0.62500000  0.12500000  1.0
  N  N26  1  0.12500000  0.12500000  0.62500000  1.0
  N  N27  1  0.12500000  0.12500000  0.12500000  1.0