data_[Al2Tl2O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [P-1]
_cell_length_a [5.3526]
_cell_length_b [5.3657]
_cell_length_c [6.0187]
_cell_angle_alpha [107.3537]
_cell_angle_beta [94.5374]
_cell_angle_gamma [113.4806]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [AlTlO2]
_chemical_formula_sum '[Al2 Tl2 O4]'
_cell_volume [147.4088]
_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
[
  Al  Al0  2  0.3562  0.1458  0.5026  1.0
  Tl  Tl1  2  0.1485  0.6933  0.8251  1.0
  O  O2  2  0.4546  0.9174  0.2714  1.0
  O  O3  1  0.0000  0.0000  0.5000  1.0
  O  O4  1  0.5000  0.5000  0.5000  1.0
]