data_[Ba4Sn4Ir4N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sn  1.9600  1.4500  0.8300
  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 [12.3785]
_cell_length_b [4.4851]
_cell_length_c [8.0855]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.7708]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Sn2Ir2N]
_chemical_formula_sum '[Ba4 Sn4 Ir4 N2]'
_cell_volume [368.7451]
_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  4  0.0609  0.5000  0.8136  1.0
  Sn  Sn1  4  0.1918  0.0000  0.5903  1.0
  Ir  Ir2  4  0.1717  0.0000  0.2308  1.0
  N  N3  2  0.0000  0.0000  0.0000  1.0
]