data_[Na6Ce4Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ce  1.1200  1.8500  1.0800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.8315]
_cell_length_b [7.9404]
_cell_length_c [6.7804]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1595]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3Ce2Cl8]
_chemical_formula_sum '[Na6 Ce4 Cl16]'
_cell_volume [754.2786]
_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
[
  Na  Na0  4  0.0000  0.2636  0.0000  1
  Na  Na1  2  0.0000  0.0000  0.5000  1
  Ce  Ce2  4  0.2404  0.5000  0.6732  1
  Cl  Cl3  8  0.1258  0.2356  0.4171  1
  Cl  Cl4  4  0.1146  0.0000  0.9329  1
  Cl  Cl5  4  0.1173  0.5000  0.9046  1
]