# generated using pymatgen
data_Ca3GdTi8O20
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.82521265
_cell_length_b   7.58766210
_cell_length_c   8.58009975
_cell_angle_alpha   90.16458429
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3GdTi8O20
_chemical_formula_sum   'Ca3 Gd1 Ti8 O20'
_cell_volume   379.23665839
_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  0.86495657  0.83481525  1.0
  Ca  Ca1  1  0.00000000  0.13959494  0.16419347  1.0
  Ca  Ca2  1  0.00000000  0.35731311  0.66783260  1.0
  Gd  Gd3  1  0.00000000  0.63523510  0.33404900  1.0
  Ti  Ti4  1  0.75849806  0.00040041  0.50089832  1.0
  Ti  Ti5  1  0.50000000  0.61714619  0.64408121  1.0
  Ti  Ti6  1  0.50000000  0.38530188  0.35616108  1.0
  Ti  Ti7  1  0.50000000  0.88368229  0.14330301  1.0
  Ti  Ti8  1  0.50000000  0.11410320  0.85980580  1.0
  Ti  Ti9  1  0.24162670  0.50188494  0.99615425  1.0
  Ti  Ti10  1  0.75837330  0.50188494  0.99615425  1.0
  Ti  Ti11  1  0.24150194  0.00040041  0.50089832  1.0
  O  O12  1  0.00000000  0.33954102  0.94372222  1.0
  O  O13  1  0.71422921  0.00157584  0.00287948  1.0
  O  O14  1  0.28577079  0.00157584  0.00287948  1.0
  O  O15  1  0.50000000  0.15653242  0.41616000  1.0
  O  O16  1  0.00000000  0.15988901  0.44075812  1.0
  O  O17  1  0.71593308  0.50228883  0.49886157  1.0
  O  O18  1  0.00000000  0.83537404  0.55511770  1.0
  O  O19  1  0.74204591  0.60479042  0.79271932  1.0
  O  O20  1  0.25980404  0.10345954  0.70612663  1.0
  O  O21  1  0.50000000  0.66212902  0.06943452  1.0
  O  O22  1  0.50000000  0.33984292  0.92770974  1.0
  O  O23  1  0.00000000  0.66297739  0.05955948  1.0
  O  O24  1  0.74303421  0.88214153  0.29587663  1.0
  O  O25  1  0.74438765  0.40637886  0.20957303  1.0
  O  O26  1  0.74019596  0.10345954  0.70612663  1.0
  O  O27  1  0.25795409  0.60479042  0.79271932  1.0
  O  O28  1  0.28406692  0.50228883  0.49886157  1.0
  O  O29  1  0.25696579  0.88214153  0.29587663  1.0
  O  O30  1  0.25561235  0.40637886  0.20957303  1.0
  O  O31  1  0.50000000  0.84054014  0.57711835  1.0