data_[Sr24Tl8O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Tl  1.6200  1.9000  1.3325
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.3242]
_cell_length_b [13.7304]
_cell_length_c [7.7289]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7352]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sr3TlO]
_chemical_formula_sum '[Sr24 Tl8 O8]'
_cell_volume [1482.6929]
_cell_formula_units_Z [8]
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  8  0.1274  0.1188  0.1624  1.0
  Sr  Sr1  8  0.1292  0.2642  0.6533  1.0
  Sr  Sr2  8  0.1539  0.4701  0.0316  1.0
  Tl  Tl3  4  0.0000  0.0735  0.7500  1.0
  Tl  Tl4  4  0.0000  0.3391  0.2500  1.0
  O  O5  8  0.2059  0.4085  0.7693  1.0
]