data_[Sr4Nb1Ir3N4O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Nb  1.6000  1.4500  0.8200
  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 [P4/m]
_cell_length_a [5.6904]
_cell_length_b [5.6904]
_cell_length_c [7.8128]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [83]
_chemical_formula_structural [Sr4NbIr3(NO2)4]
_chemical_formula_sum '[Sr4 Nb1 Ir3 N4 O8]'
_cell_volume [252.9849]
_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
[
  Sr  Sr0  4  0.0000  0.5000  0.2497  1
  Nb  Nb1  1  0.0000  0.0000  0.0000  1
  Ir  Ir2  1  0.0000  0.0000  0.5000  1
  Ir  Ir3  1  0.5000  0.5000  0.0000  1
  Ir  Ir4  1  0.5000  0.5000  0.5000  1
  N  N5  2  0.0000  0.0000  0.2575  1
  N  N6  2  0.5000  0.5000  0.2520  1
  O  O7  4  0.1846  0.3146  0.5000  1
  O  O8  4  0.2131  0.7124  0.0000  1
]