data_[La2Tl18Te12]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [9.0604]
_cell_length_b [9.0604]
_cell_length_c [13.5887]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [La(Tl3Te2)3]
_chemical_formula_sum '[La2 Tl18 Te12]'
_cell_volume [1115.5077]
_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  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  16  0.1387  0.3436  0.6575  1.0
  Tl  Tl2  2  0.0000  0.0000  0.5000  1.0
  Te  Te3  8  0.1519  0.3295  0.0000  1.0
  Te  Te4  4  0.0000  0.0000  0.2389  1.0
]