data_[La12Si4Te2I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Si  1.9000  1.1000  0.5400
  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 [20.2089]
_cell_length_b [4.4895]
_cell_length_c [9.3293]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.5812]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6Si2TeI3]
_chemical_formula_sum '[La12 Si4 Te2 I6]'
_cell_volume [815.3201]
_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  0.0187  0.0000  0.2476  1.0
  La  La1  4  0.1657  0.5000  0.1265  1.0
  La  La2  4  0.1779  0.5000  0.5577  1.0
  Si  Si3  4  0.1686  0.0000  0.3365  1.0
  Te  Te4  2  0.0000  0.5000  0.0000  1.0
  I  I5  4  0.1630  0.0000  0.8335  1.0
  I  I6  2  0.0000  0.5000  0.5000  1.0
]