data_[La2Tl8I14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  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 [23.0509]
_cell_length_b [6.1441]
_cell_length_c [8.4946]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5361]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaTl4I7]
_chemical_formula_sum '[La2 Tl8 I14]'
_cell_volume [1153.3098]
_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
[
  La  La0  2  0.0000  0.0000  0.0000  1
  Tl  Tl1  4  0.0844  0.5000  0.6443  1
  Tl  Tl2  4  0.1972  0.5000  0.2626  1
  I  I3  4  0.0800  0.0000  0.3695  1
  I  I4  4  0.1198  0.0000  0.8880  1
  I  I5  4  0.2262  0.5000  0.6693  1
  I  I6  2  0.0000  0.5000  0.0000  1
]