data_[La4Tl6Sn2Te12]
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
  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 [20.9878]
_cell_length_b [4.5777]
_cell_length_c [9.6274]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.0621]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2Tl3SnTe6]
_chemical_formula_sum '[La4 Tl6 Sn2 Te12]'
_cell_volume [888.8400]
_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  0.1650  0.0000  0.3323  1.0
  Tl  Tl1  4  0.1695  0.0000  0.8382  1.0
  Tl  Tl2  2  0.0000  0.5000  0.5000  1.0
  Sn  Sn3  2  0.0000  0.5000  0.0000  1.0
  Te  Te4  4  0.0034  0.0000  0.2301  1.0
  Te  Te5  4  0.1578  0.5000  0.0956  1.0
  Te  Te6  4  0.1732  0.5000  0.5720  1.0
]