# generated using pymatgen
data_Ba3IrN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.17949836
_cell_length_b   8.17920482
_cell_length_c   5.62738677
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99924116
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3IrN3
_chemical_formula_sum   'Ba6 Ir2 N6'
_cell_volume   326.04569553
_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
  Ba  Ba0  1  0.90130929  0.63793249  0.25000000  1.0
  Ba  Ba1  1  0.73651634  0.09894942  0.25000000  1.0
  Ba  Ba2  1  0.36241111  0.26350377  0.25000000  1.0
  Ba  Ba3  1  0.09867064  0.36203488  0.75000000  1.0
  Ba  Ba4  1  0.26347828  0.90106078  0.75000000  1.0
  Ba  Ba5  1  0.63761269  0.73649602  0.75000000  1.0
  Ir  Ir6  1  0.66658056  0.33329109  0.75000000  1.0
  Ir  Ir7  1  0.33341736  0.66669417  0.25000000  1.0
  N  N8  1  0.88609253  0.57099650  0.75000000  1.0
  N  N9  1  0.68474114  0.11364885  0.75000000  1.0
  N  N10  1  0.42868323  0.31491197  0.75000000  1.0
  N  N11  1  0.11391868  0.42898575  0.25000000  1.0
  N  N12  1  0.31522646  0.88635240  0.25000000  1.0
  N  N13  1  0.57134169  0.68514393  0.25000000  1.0