data_[Ce8Y4N12]
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
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.0824]
_cell_length_b [5.0066]
_cell_length_c [10.6188]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Ce2YN3]
_chemical_formula_sum '[Ce8 Y4 N12]'
_cell_volume [376.5303]
_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  0.1244  0.7500  0.7498  1
  Ce  Ce1  4  0.1271  0.7500  0.4171  1
  Y  Y2  4  0.1240  0.7500  0.0830  1
  N  N3  4  0.1246  0.2500  0.0835  1
  N  N4  4  0.1253  0.2500  0.7510  1
  N  N5  4  0.1288  0.2500  0.4171  1
]