data_[Rb1Ti3Al1O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  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 [P1]
_cell_length_a [2.9859]
_cell_length_b [7.3097]
_cell_length_c [7.3404]
_cell_angle_alpha [87.5284]
_cell_angle_beta [78.2809]
_cell_angle_gamma [78.2252]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [RbTi3AlO8]
_chemical_formula_sum '[Rb1 Ti3 Al1 O8]'
_cell_volume [153.5690]
_cell_formula_units_Z [1]
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
[
  Rb  Rb0  1  0.0261  0.9954  0.9964  1.0
  Ti  Ti1  1  0.3339  0.8143  0.5077  1.0
  Ti  Ti2  1  0.6849  0.1955  0.4788  1.0
  Ti  Ti3  1  0.8541  0.4905  0.8319  1.0
  Al  Al4  1  0.1708  0.5139  0.1845  1.0
  O  O5  1  0.0611  0.2914  0.6278  1.0
  O  O6  1  0.3161  0.0511  0.3565  1.0
  O  O7  1  0.3522  0.6276  0.7092  1.0
  O  O8  1  0.3622  0.3596  0.9567  1.0
  O  O9  1  0.6758  0.6362  0.0537  1.0
  O  O10  1  0.6845  0.3786  0.2931  1.0
  O  O11  1  0.7322  0.9460  0.6342  1.0
  O  O12  1  0.9861  0.6999  0.3695  1.0
]