data_[Ce1Ag1Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ag  1.9300  1.6000  1.0867
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.4088]
_cell_length_b [6.8029]
_cell_length_c [7.0578]
_cell_angle_alpha [63.2910]
_cell_angle_beta [89.7251]
_cell_angle_gamma [63.9923]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CeAgCl6]
_chemical_formula_sum '[Ce1 Ag1 Cl6]'
_cell_volume [239.8510]
_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
  Ag  Ag1  1  0.5000  0.0000  0.5000  1.0
  Cl  Cl2  2  0.0629  0.5521  0.2265  1.0
  Cl  Cl3  2  0.2664  0.8355  0.7491  1.0
  Cl  Cl4  2  0.4090  0.8470  0.2663  1.0
]