data_[Ba2As2Ir2N1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  As  2.1800  1.1500  0.6600
  Ir  2.2000  1.3500  0.7650
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.2368]
_cell_length_b [6.4295]
_cell_length_c [6.7073]
_cell_angle_alpha [101.7547]
_cell_angle_beta [107.4326]
_cell_angle_gamma [104.0044]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ba2As2Ir2N]
_chemical_formula_sum '[Ba2 As2 Ir2 N1]'
_cell_volume [161.4317]
_cell_formula_units_Z [1]
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  2  0.2644  0.8105  0.6772  1.0
  As  As1  2  0.4791  0.6215  0.2289  1.0
  Ir  Ir2  2  0.0454  0.2749  0.9324  1.0
  N  N3  1  0.0000  0.0000  0.0000  1.0
]