data_[La12Tl2Sn4Te6]
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 [20.3188]
_cell_length_b [4.6129]
_cell_length_c [9.3394]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4705]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6TlSn2Te3]
_chemical_formula_sum '[La12 Tl2 Sn4 Te6]'
_cell_volume [843.6516]
_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  0.0004  0.0000  0.2542  1.0
  La  La1  4  0.1674  0.5000  0.0867  1.0
  La  La2  4  0.1692  0.5000  0.5754  1.0
  Tl  Tl3  2  0.0000  0.5000  0.0000  1.0
  Sn  Sn4  4  0.1647  0.0000  0.3282  1.0
  Te  Te5  4  0.1671  0.0000  0.8309  1.0
  Te  Te6  2  0.0000  0.5000  0.5000  1.0
]