data_[La4In6Sn2Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.6010]
_cell_length_b [4.5340]
_cell_length_c [9.4696]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.0452]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2In3SnTe6]
_chemical_formula_sum '[La4 In6 Sn2 Te12]'
_cell_volume [854.1917]
_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  0.1644  0.0000  0.3308  1.0
  In  In1  4  0.1684  0.0000  0.8360  1.0
  In  In2  2  0.0000  0.5000  0.5000  1.0
  Sn  Sn3  2  0.0000  0.5000  0.0000  1.0
  Te  Te4  4  0.0025  0.0000  0.2498  1.0
  Te  Te5  4  0.1631  0.5000  0.0920  1.0
  Te  Te6  4  0.1708  0.5000  0.5764  1.0
]