data_[Ce1Te4Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Te  2.1000  1.4000  1.2933
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.2232]
_cell_length_b [7.2533]
_cell_length_c [7.6003]
_cell_angle_alpha [73.5194]
_cell_angle_beta [72.5845]
_cell_angle_gamma [84.7506]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ce(Te2Cl3)2]
_chemical_formula_sum '[Ce1 Te4 Cl6]'
_cell_volume [364.3214]
_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
  Te  Te1  2  0.2981  0.6982  0.4839  1
  Te  Te2  2  0.4343  0.4108  0.3077  1
  Cl  Cl3  2  0.0486  0.6266  0.2224  1
  Cl  Cl4  2  0.1303  0.1260  0.2511  1
  Cl  Cl5  2  0.3750  0.9763  0.7570  1
]