# generated using pymatgen
data_CaPr3Ti8O20
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.83286685
_cell_length_b   7.73563711
_cell_length_c   8.72477326
_cell_angle_alpha   89.97331907
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaPr3Ti8O20
_chemical_formula_sum   'Ca1 Pr3 Ti8 O20'
_cell_volume   393.66993918
_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
  Ca  Ca0  1  0.00000000  0.35040733  0.67020206  1.0
  Pr  Pr1  1  0.00000000  0.63710378  0.33292345  1.0
  Pr  Pr2  1  0.00000000  0.85894494  0.82839043  1.0
  Pr  Pr3  1  0.00000000  0.14294555  0.17139942  1.0
  Ti  Ti4  1  0.50000000  0.11510758  0.85565348  1.0
  Ti  Ti5  1  0.50000000  0.88428010  0.14366376  1.0
  Ti  Ti6  1  0.50000000  0.61398457  0.64268051  1.0
  Ti  Ti7  1  0.50000000  0.38682302  0.36005251  1.0
  Ti  Ti8  1  0.25210762  0.50021634  0.99611768  1.0
  Ti  Ti9  1  0.74694871  0.00184097  0.50072296  1.0
  Ti  Ti10  1  0.74789238  0.50021634  0.99611768  1.0
  Ti  Ti11  1  0.25305129  0.00184097  0.50072296  1.0
  O  O12  1  0.25614187  0.89866211  0.29010063  1.0
  O  O13  1  0.25793148  0.09684175  0.71045303  1.0
  O  O14  1  0.74261170  0.40032276  0.20942834  1.0
  O  O15  1  0.74033311  0.60753176  0.79270488  1.0
  O  O16  1  0.74206852  0.09684175  0.71045303  1.0
  O  O17  1  0.74385813  0.89866211  0.29010063  1.0
  O  O18  1  0.25966689  0.60753176  0.79270488  1.0
  O  O19  1  0.25738830  0.40032276  0.20942834  1.0
  O  O20  1  0.50000000  0.33690288  0.91974981  1.0
  O  O21  1  0.50000000  0.66389898  0.07871917  1.0
  O  O22  1  0.50000000  0.83297317  0.57361392  1.0
  O  O23  1  0.50000000  0.16461694  0.42080129  1.0
  O  O24  1  0.28344823  0.00099074  0.00105160  1.0
  O  O25  1  0.71659848  0.49920301  0.50096000  1.0
  O  O26  1  0.71655177  0.00099074  0.00105160  1.0
  O  O27  1  0.28340152  0.49920301  0.50096000  1.0
  O  O28  1  0.00000000  0.16017603  0.44624967  1.0
  O  O29  1  0.00000000  0.83969929  0.55248102  1.0
  O  O30  1  0.00000000  0.66100587  0.05374460  1.0
  O  O31  1  0.00000000  0.33991507  0.94659767  1.0