data_[Ce8N4Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.4136]
_cell_length_b [4.0422]
_cell_length_c [10.7534]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.5770]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce2NCl3]
_chemical_formula_sum '[Ce8 N4 Cl12]'
_cell_volume [620.4875]
_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  0.0878  0.5000  0.4519  1.0
  Ce  Ce1  4  0.1345  0.0000  0.7891  1.0
  N  N2  4  0.0738  0.5000  0.6539  1.0
  Cl  Cl3  4  0.0491  0.0000  0.2410  1.0
  Cl  Cl4  4  0.1641  0.5000  0.0098  1.0
  Cl  Cl5  4  0.2268  0.0000  0.6167  1.0
]