data_[La2Tl10Te8]
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 [C2/m]
_cell_length_a [20.8579]
_cell_length_b [4.7059]
_cell_length_c [8.2432]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9561]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaTl5Te4]
_chemical_formula_sum '[La2 Tl10 Te8]'
_cell_volume [777.9331]
_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  0.5000  0.0000  1
  Tl  Tl1  4  0.1821  0.0000  0.6041  1
  Tl  Tl2  4  0.1950  0.0000  0.1145  1
  Tl  Tl3  2  0.0000  0.5000  0.5000  1
  Te  Te4  4  0.0618  0.0000  0.8187  1
  Te  Te5  4  0.1361  0.5000  0.3137  1
]