data_[La12Tl4Bi2Te6]
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
  Bi  2.0200  1.6000  1.0350
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.3493]
_cell_length_b [4.5372]
_cell_length_c [9.4892]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3097]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6Tl2BiTe3]
_chemical_formula_sum '[La12 Tl4 Bi2 Te6]'
_cell_volume [845.0314]
_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  0.0026  0.0000  0.2503  1.0
  La  La1  4  0.1648  0.5000  0.5908  1.0
  La  La2  4  0.1672  0.5000  0.0875  1.0
  Tl  Tl3  4  0.1697  0.0000  0.3427  1.0
  Bi  Bi4  2  0.0000  0.5000  0.0000  1.0
  Te  Te5  4  0.1643  0.0000  0.8382  1.0
  Te  Te6  2  0.0000  0.5000  0.5000  1.0
]