data_[Ce8Tl2I10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Tl  1.6200  1.9000  1.3325
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.4053]
_cell_length_b [4.3586]
_cell_length_c [9.3144]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.7105]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce4TlI5]
_chemical_formula_sum '[Ce8 Tl2 I10]'
_cell_volume [774.0911]
_cell_formula_units_Z [2]
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  4  0.0027  0.0000  0.2394  1.0
  Ce  Ce1  4  0.1656  0.5000  0.0648  1.0
  Tl  Tl2  2  0.0000  0.5000  0.0000  1.0
  I  I3  4  0.1672  0.0000  0.8060  1.0
  I  I4  4  0.1702  0.0000  0.3254  1.0
  I  I5  2  0.0000  0.5000  0.5000  1.0
]