data_[Sr16Ir2N4]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.9115]
_cell_length_b [9.5730]
_cell_length_c [6.9723]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.5032]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr8IrN2]
_chemical_formula_sum '[Sr16 Ir2 N4]'
_cell_volume [928.2227]
_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
[
  Sr  Sr0  8  0.1098  0.1894  0.7566  1
  Sr  Sr1  4  0.1422  0.5000  0.2679  1
  Sr  Sr2  4  0.1704  0.0000  0.2764  1
  Ir  Ir3  2  0.0000  0.0000  0.0000  1
  N  N4  4  0.1995  0.0000  0.6170  1
]