data_[Cs2Pr2Ti2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Pr  1.1300  1.8500  1.0600
  Ti  1.5400  1.4000  0.8517
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.1655]
_cell_length_b [6.2146]
_cell_length_c [8.1502]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6644]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsPrTiO4]
_chemical_formula_sum '[Cs2 Pr2 Ti2 O8]'
_cell_volume [297.5599]
_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
[
  Cs  Cs0  2  0.3054  0.2500  0.0726  1
  Pr  Pr1  2  0.1990  0.2500  0.5455  1
  Ti  Ti2  2  0.2634  0.7500  0.3481  1
  O  O3  4  0.0601  0.5248  0.3371  1
  O  O4  2  0.4542  0.7500  0.2144  1
  O  O5  2  0.4671  0.7500  0.5577  1
]