data_[Na1Ce1Cu2Cl8]
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
  Cu  1.9000  1.3500  0.8200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.6555]
_cell_length_b [6.6874]
_cell_length_c [8.2929]
_cell_angle_alpha [106.5709]
_cell_angle_beta [90.8608]
_cell_angle_gamma [97.9488]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [NaCe(CuCl4)2]
_chemical_formula_sum '[Na1 Ce1 Cu2 Cl8]'
_cell_volume [349.7962]
_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
[
  Na  Na0  1  0.0000  0.0000  0.5000  1.0
  Ce  Ce1  1  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  2  0.4614  0.6262  0.6747  1.0
  Cl  Cl3  2  0.1128  0.7771  0.1865  1.0
  Cl  Cl4  2  0.1441  0.7618  0.7153  1.0
  Cl  Cl5  2  0.3613  0.2507  0.0705  1.0
  Cl  Cl6  2  0.3928  0.2750  0.5437  1.0
]