data_[Ce4S1N2Cl1]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.3733]
_cell_length_b [3.6889]
_cell_length_c [6.9062]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9823]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ce4SN2Cl]
_chemical_formula_sum '[Ce4 S1 N2 Cl1]'
_cell_volume [154.4355]
_cell_formula_units_Z [1]
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  2  0.2395  0.0000  0.7089  1
  Ce  Ce1  2  0.2675  0.5000  0.2948  1
  S  S2  1  0.5000  0.5000  0.0000  1
  N  N3  1  0.0000  0.5000  0.5000  1
  N  N4  1  0.5000  0.0000  0.5000  1
  Cl  Cl5  1  0.0000  0.0000  0.0000  1
]