data_[Y16Ti8In12N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ti  1.5400  1.4000  0.8517
  In  1.7800  1.5500  0.9400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.1569]
_cell_length_b [5.8843]
_cell_length_c [15.3984]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9510]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Y4Ti2(InN)3]
_chemical_formula_sum '[Y16 Ti8 In12 N12]'
_cell_volume [896.9044]
_cell_formula_units_Z [4]
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  8  0.1144  0.0777  0.0894  1
  Y  Y1  8  0.2167  0.0857  0.4106  1
  Ti  Ti2  8  0.0617  0.4148  0.9309  1
  In  In3  8  0.1457  0.4361  0.2478  1
  In  In4  4  0.0000  0.1270  0.7500  1
  N  N5  8  0.0762  0.2710  0.5000  1
  N  N6  4  0.2500  0.2500  0.0000  1
]