data_[Ce12C4S2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  C  2.5500  0.7000  0.3000
  S  2.5800  1.0000  0.8800
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.0359]
_cell_length_b [3.6773]
_cell_length_c [7.3983]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0888]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce6C2SN3]
_chemical_formula_sum '[Ce12 C4 S2 N6]'
_cell_volume [424.9372]
_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  0.0013  0.0000  0.7263  1.0
  Ce  Ce1  4  0.1673  0.5000  0.5841  1.0
  Ce  Ce2  4  0.1754  0.5000  0.0884  1.0
  C  C3  4  0.1678  0.0000  0.3337  1.0
  S  S4  2  0.0000  0.5000  0.0000  1.0
  N  N5  4  0.1692  0.0000  0.8312  1.0
  N  N6  2  0.0000  0.5000  0.5000  1.0
]