data_[La2Ti2Tl2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ti  1.5400  1.4000  0.8517
  Tl  1.6200  1.9000  1.3325
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.3920]
_cell_length_b [6.1222]
_cell_length_c [7.6541]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7697]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LaTiTlO4]
_chemical_formula_sum '[La2 Ti2 Tl2 O8]'
_cell_volume [290.9235]
_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  0.1984  0.2500  0.5718  1
  Ti  Ti1  2  0.2839  0.7500  0.3510  1
  Tl  Tl2  2  0.3189  0.2500  0.1115  1
  O  O3  4  0.0911  0.5219  0.3439  1
  O  O4  2  0.4695  0.7500  0.2032  1
  O  O5  2  0.4743  0.7500  0.5665  1
]