data_[Cs4Ti4Al4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ti  1.5400  1.4000  0.8517
  Al  1.6100  1.2500  0.6750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [5.8037]
_cell_length_b [9.1829]
_cell_length_c [10.1027]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [CsTiAlO4]
_chemical_formula_sum '[Cs4 Ti4 Al4 O16]'
_cell_volume [538.4266]
_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
[
  Cs  Cs0  2  0.0000  0.0000  0.9379  1.0
  Cs  Cs1  2  0.0000  0.5000  0.0512  1.0
  Ti  Ti2  4  0.0000  0.2005  0.3317  1.0
  Al  Al3  4  0.0000  0.3146  0.6696  1.0
  O  O4  8  0.2464  0.2317  0.7445  1.0
  O  O5  4  0.0000  0.2688  0.4990  1.0
  O  O6  2  0.0000  0.0000  0.3403  1.0
  O  O7  2  0.0000  0.5000  0.6918  1.0
]