# generated using pymatgen
data_Ba2Ni2IrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.44576381
_cell_length_b   6.44576379
_cell_length_c   7.38391084
_cell_angle_alpha   90.00567123
_cell_angle_beta   89.99433112
_cell_angle_gamma   110.98128338
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2Ni2IrN2
_chemical_formula_sum   'Ba4 Ni4 Ir2 N4'
_cell_volume   286.44509137
_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  0.67009957  0.33449658  0.40481781  1.0
  Ba  Ba1  1  0.33449658  0.67009957  0.59518219  1.0
  Ba  Ba2  1  0.83505071  0.17048332  0.90485051  1.0
  Ba  Ba3  1  0.17048332  0.83505071  0.09514949  1.0
  Ni  Ni4  1  0.83237988  0.67365817  0.74971282  1.0
  Ni  Ni5  1  0.67365817  0.83237988  0.25028718  1.0
  Ni  Ni6  1  0.02856384  0.02856384  0.50000000  1.0
  Ni  Ni7  1  0.47780645  0.47780645  1.00000000  1.0
  Ir  Ir8  1  0.17947265  0.32661146  0.24988915  1.0
  Ir  Ir9  1  0.32661146  0.17947265  0.75011085  1.0
  N  N10  1  0.91752069  0.06795703  0.27467538  1.0
  N  N11  1  0.06795703  0.91752069  0.72532462  1.0
  N  N12  1  0.58869698  0.43820468  0.77465279  1.0
  N  N13  1  0.43820468  0.58869698  0.22534721  1.0