data_[Sr2Ti2Tl4O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [Pmn2_1]
_cell_length_a [7.5006]
_cell_length_b [8.7139]
_cell_length_c [5.5582]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [SrTiTl2O4]
_chemical_formula_sum '[Sr2 Ti2 Tl4 O8]'
_cell_volume [363.2795]
_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
[
  Sr  Sr0  2  0.0000  0.1106  0.5125  1.0
  Ti  Ti1  2  0.0000  0.8749  0.9980  1.0
  Tl  Tl2  4  0.2486  0.3156  0.0165  1.0
  O  O3  4  0.2054  0.7917  0.1169  1.0
  O  O4  2  0.0000  0.0847  0.0572  1.0
  O  O5  2  0.0000  0.8522  0.6655  1.0
]