data_[Rb12Ti12P20O80]
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
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pbcm]
_cell_length_a [6.3751]
_cell_length_b [18.6795]
_cell_length_c [15.0853]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [Rb3Ti3(PO4)5]
_chemical_formula_sum '[Rb12 Ti12 P20 O80]'
_cell_volume [1796.4020]
_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
[
  Rb  Rb0  8  0.3670  0.1509  0.5278  1
  Rb  Rb1  4  0.3405  0.1734  0.2500  1
  Ti  Ti2  8  0.2436  0.5471  0.1318  1
  Ti  Ti3  4  0.2547  0.6469  0.7500  1
  P  P4  8  0.1465  0.7243  0.0959  1
  P  P5  8  0.2544  0.5044  0.6010  1
  P  P6  4  0.2431  0.1016  0.7500  1
  O  O7  8  0.0599  0.0414  0.1253  1
  O  O8  8  0.0885  0.2251  0.0988  1
  O  O9  8  0.2461  0.0564  0.6644  1
  O  O10  8  0.2516  0.6500  0.1034  1
  O  O11  8  0.2557  0.5225  0.5020  1
  O  O12  8  0.2616  0.5744  0.6567  1
  O  O13  8  0.2617  0.7241  0.6594  1
  O  O14  8  0.4443  0.0440  0.1251  1
  O  O15  4  0.0451  0.1496  0.7500  1
  O  O16  4  0.2367  0.7500  0.0000  1
  O  O17  4  0.2486  0.5685  0.2500  1
  O  O18  4  0.4330  0.1533  0.7500  1
]