data_[Sr4Ir4N8O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ir  2.2000  1.3500  0.7650
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [7.5171]
_cell_length_b [5.8036]
_cell_length_c [5.8126]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [SrIrN2O]
_chemical_formula_sum '[Sr4 Ir4 N8 O4]'
_cell_volume [253.5846]
_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
[
  Sr  Sr0  2  0.0000  0.2996  0.5313  1
  Sr  Sr1  2  0.5000  0.2865  0.4724  1
  Ir  Ir2  4  0.2526  0.2026  0.0068  1
  N  N3  4  0.3016  0.0382  0.7227  1
  N  N4  2  0.0000  0.1879  0.9976  1
  N  N5  2  0.5000  0.2926  0.0062  1
  O  O6  4  0.2214  0.4616  0.2665  1
]