data_[Ce1Cu1H2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Cu  1.9000  1.3500  0.8200
  H  2.2000  0.2500  0.0000
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.6084]
_cell_length_b [7.1872]
_cell_length_c [7.3930]
_cell_angle_alpha [86.4126]
_cell_angle_beta [87.8317]
_cell_angle_gamma [88.6995]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CeCu(HCl4)2]
_chemical_formula_sum '[Ce1 Cu1 H2 Cl8]'
_cell_volume [350.1262]
_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  1  0.0000  0.0000  0.0000  1.0
  Cu  Cu1  1  0.0000  0.0000  0.5000  1.0
  H  H2  2  0.2650  0.3301  0.6579  1.0
  Cl  Cl3  2  0.1998  0.8509  0.7187  1.0
  Cl  Cl4  2  0.2092  0.8628  0.2849  1.0
  Cl  Cl5  2  0.2349  0.2813  0.9637  1.0
  Cl  Cl6  2  0.2653  0.3301  0.4814  1.0
]