data_[Tb2Y2Ti2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Y  1.2200  1.8000  1.0400
  Ti  1.5400  1.4000  0.8517
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.5181]
_cell_length_b [3.2820]
_cell_length_c [9.2421]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.8375]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TbYTiN3]
_chemical_formula_sum '[Tb2 Y2 Ti2 N6]'
_cell_volume [197.6083]
_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
[
  Tb  Tb0  2  0.1808  0.7500  0.2392  1
  Y  Y1  2  0.3413  0.2500  0.8828  1
  Ti  Ti2  2  0.1384  0.7500  0.5745  1
  N  N3  2  0.1175  0.7500  0.7846  1
  N  N4  2  0.1819  0.2500  0.4583  1
  N  N5  2  0.3856  0.2500  0.1300  1
]