data_[La12Sn4Te6I2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sn  1.9600  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.1252]
_cell_length_b [4.6227]
_cell_length_c [9.2374]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0726]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6Sn2Te3I]
_chemical_formula_sum '[La12 Sn4 Te6 I2]'
_cell_volume [837.1010]
_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  4  0.0043  0.0000  0.2655  1
  La  La1  4  0.1689  0.5000  0.5780  1
  La  La2  4  0.1722  0.5000  0.0942  1
  Sn  Sn3  4  0.1655  0.0000  0.3296  1
  Te  Te4  4  0.1630  0.0000  0.8337  1
  Te  Te5  2  0.0000  0.5000  0.5000  1
  I  I6  2  0.0000  0.5000  0.0000  1
]