data_[Ce8Y4Ti4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  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 [Cmc2_1]
_cell_length_a [3.5057]
_cell_length_b [13.5566]
_cell_length_c [11.1741]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ce2YTiN5]
_chemical_formula_sum '[Ce8 Y4 Ti4 N20]'
_cell_volume [531.0551]
_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
[
  Ce  Ce0  4  0.0000  0.1279  0.7079  1.0
  Ce  Ce1  4  0.0000  0.1317  0.2424  1.0
  Y  Y2  4  0.0000  0.2307  0.9850  1.0
  Ti  Ti3  4  0.0000  0.4965  0.4833  1.0
  N  N4  4  0.0000  0.0570  0.0364  1.0
  N  N5  4  0.0000  0.2818  0.6402  1.0
  N  N6  4  0.0000  0.2859  0.3397  1.0
  N  N7  4  0.0000  0.3846  0.0732  1.0
  N  N8  4  0.0000  0.4658  0.8159  1.0
]