data_[Y6B4Ir4N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  B  2.0400  0.8500  0.4100
  Ir  2.2000  1.3500  0.7650
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.7014]
_cell_length_b [3.7014]
_cell_length_c [19.9365]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Y3B2Ir2N3]
_chemical_formula_sum '[Y6 B4 Ir4 N6]'
_cell_volume [273.1368]
_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
[
  Y  Y0  4  0.0000  0.0000  0.3805  1.0
  Y  Y1  2  0.0000  0.0000  0.0000  1.0
  B  B2  4  0.0000  0.0000  0.1903  1.0
  Ir  Ir3  4  0.0000  0.5000  0.2500  1.0
  N  N4  4  0.0000  0.0000  0.1154  1.0
  N  N5  2  0.0000  0.0000  0.5000  1.0
]