data_[Sr8Al4Tl4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Al  1.6100  1.2500  0.6750
  Tl  1.6200  1.9000  1.3325
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.3431]
_cell_length_b [15.5795]
_cell_length_c [10.2185]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2AlTlO5]
_chemical_formula_sum '[Sr8 Al4 Tl4 O20]'
_cell_volume [532.2130]
_cell_formula_units_Z [4]
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  4  0.0000  0.1068  0.6788  1.0
  Sr  Sr1  4  0.0000  0.1175  0.3093  1.0
  Al  Al2  4  0.0000  0.4516  0.4450  1.0
  Tl  Tl3  4  0.0000  0.2191  0.0217  1.0
  O  O4  4  0.0000  0.0336  0.0176  1.0
  O  O5  4  0.0000  0.2890  0.6737  1.0
  O  O6  4  0.0000  0.3389  0.3919  1.0
  O  O7  4  0.0000  0.3588  0.9985  1.0
  O  O8  4  0.0000  0.4986  0.2873  1.0
]