data_[Tb1Pr1B2Ir2N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Pr  1.1300  1.8500  1.0600
  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 [P4mm]
_cell_length_a [3.7893]
_cell_length_b [3.7893]
_cell_length_c [7.5448]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [TbPrB2(IrN)2]
_chemical_formula_sum '[Tb1 Pr1 B2 Ir2 N2]'
_cell_volume [108.3310]
_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
[
  Tb  Tb0  1  0.0000  0.0000  0.8357  1
  Pr  Pr1  1  0.5000  0.5000  0.1661  1
  B  B2  1  0.0000  0.0000  0.3467  1
  B  B3  1  0.5000  0.5000  0.6512  1
  Ir  Ir4  2  0.0000  0.5000  0.5025  1
  N  N5  1  0.0000  0.0000  0.1470  1
  N  N6  1  0.5000  0.5000  0.8483  1
]