data_[Ce6S4N2]
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 [Immm]
_cell_length_a [3.7801]
_cell_length_b [5.5435]
_cell_length_c [11.7644]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ce3S2N]
_chemical_formula_sum '[Ce6 S4 N2]'
_cell_volume [246.5215]
_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
[
  Ce  Ce0  4  0.0000  0.5000  0.1447  1.0
  Ce  Ce1  2  0.0000  0.5000  0.5000  1.0
  S  S2  4  0.0000  0.0000  0.1745  1.0
  N  N3  2  0.0000  0.0000  0.5000  1.0
]