data_[La6Tl2Te2Br2]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.6335]
_cell_length_b [4.4874]
_cell_length_c [10.9268]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.2725]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [La3TlTeBr]
_chemical_formula_sum '[La6 Tl2 Te2 Br2]'
_cell_volume [394.4855]
_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  0.1348  0.7500  0.9176  1
  La  La1  2  0.2512  0.2500  0.4695  1
  La  La2  2  0.4340  0.2500  0.2299  1
  Tl  Tl3  2  0.4104  0.2500  0.9078  1
  Te  Te4  2  0.1512  0.7500  0.2248  1
  Br  Br5  2  0.1545  0.7500  0.6235  1
]