data_[Rb16Ti2O12]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.8106]
_cell_length_b [7.7476]
_cell_length_c [14.1571]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Rb8TiO6]
_chemical_formula_sum '[Rb16 Ti2 O12]'
_cell_volume [856.6994]
_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
[
  Rb  Rb0  4  0.2093  0.0493  0.1309  1
  Rb  Rb1  4  0.2433  0.0456  0.8831  1
  Rb  Rb2  4  0.2463  0.4391  0.2806  1
  Rb  Rb3  2  0.0000  0.2785  0.4850  1
  Rb  Rb4  2  0.0000  0.5376  0.0231  1
  Ti  Ti5  2  0.0000  0.6819  0.5183  1
  O  O6  4  0.1942  0.6118  0.4538  1
  O  O7  2  0.0000  0.1874  0.2804  1
  O  O8  2  0.0000  0.5970  0.6403  1
  O  O9  2  0.0000  0.8874  0.9993  1
  O  O10  2  0.0000  0.9215  0.5203  1
]