data_[Ba2Ac2Ir2N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ac  1.1000  1.9500  1.2600
  Ir  2.2000  1.3500  0.7650
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pccm]
_cell_length_a [5.3567]
_cell_length_b [5.9789]
_cell_length_c [7.5300]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [49]
_chemical_formula_structural [BaAcIrN2]
_chemical_formula_sum '[Ba2 Ac2 Ir2 N4]'
_cell_volume [241.1641]
_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  2  0.0000  0.5000  0.2500  1
  Ac  Ac1  2  0.5000  0.0000  0.2500  1
  Ir  Ir2  2  0.0000  0.0000  0.0000  1
  N  N3  4  0.2633  0.2239  0.0000  1
]