data_[Ce4Te2I3]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.4503]
_cell_length_b [4.4503]
_cell_length_c [18.8209]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Ce4Te2I3]
_chemical_formula_sum '[Ce4 Te2 I3]'
_cell_volume [322.8136]
_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  2  0.0000  0.0000  0.2922  1
  Ce  Ce1  2  0.3333  0.6667  0.8971  1
  Te  Te2  2  0.3333  0.6667  0.1976  1
  I  I3  2  0.3333  0.6667  0.6015  1
  I  I4  1  0.0000  0.0000  0.0000  1
]