data_[Ce8S8N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  S  2.5800  1.0000  0.8800
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9581]
_cell_length_b [15.0923]
_cell_length_c [7.1138]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ce2S2N]
_chemical_formula_sum '[Ce8 S8 N4]'
_cell_volume [424.9545]
_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  0.1616  0.9812  1.0
  Ce  Ce1  4  0.0000  0.4470  0.0874  1.0
  S  S2  4  0.0000  0.0442  0.2826  1.0
  S  S3  4  0.0000  0.2025  0.5978  1.0
  N  N4  4  0.0000  0.4034  0.4167  1.0
]