# generated using pymatgen
data_Ca2Ti9O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.20303588
_cell_length_b   5.20303588
_cell_length_c   16.71736802
_cell_angle_alpha   81.19934654
_cell_angle_beta   81.19934654
_cell_angle_gamma   34.06772738
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2Ti9O13
_chemical_formula_sum   'Ca2 Ti9 O13'
_cell_volume   250.24808591
_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  0.78536800  0.78536800  0.22858200  1.0
  Ca  Ca1  1  0.21463200  0.21463200  0.77141800  1.0
  Ti  Ti2  1  0.50000000  0.50000000  0.50000000  1.0
  Ti  Ti3  1  0.34284400  0.34284400  0.03546200  1.0
  Ti  Ti4  1  0.65715600  0.65715600  0.96453800  1.0
  Ti  Ti5  1  0.23847700  0.23847700  0.42645300  1.0
  Ti  Ti6  1  0.76152300  0.76152300  0.57354700  1.0
  Ti  Ti7  1  0.07006800  0.07006800  0.11481900  1.0
  Ti  Ti8  1  0.92993200  0.92993200  0.88518100  1.0
  Ti  Ti9  1  0.00978400  0.00978400  0.34066900  1.0
  Ti  Ti10  1  0.99021600  0.99021600  0.65933100  1.0
  O  O11  1  0.00000000  0.00000000  0.00000000  1.0
  O  O12  1  0.10523000  0.10523000  0.23025700  1.0
  O  O13  1  0.89477000  0.89477000  0.76974300  1.0
  O  O14  1  0.71466400  0.71466400  0.08706000  1.0
  O  O15  1  0.28533600  0.28533600  0.91294000  1.0
  O  O16  1  0.42635300  0.42635300  0.14141200  1.0
  O  O17  1  0.57364700  0.57364700  0.85858800  1.0
  O  O18  1  0.37599000  0.37599000  0.31822800  1.0
  O  O19  1  0.62401000  0.62401000  0.68177200  1.0
  O  O20  1  0.63129900  0.63129900  0.37787300  1.0
  O  O21  1  0.36870100  0.36870100  0.62212700  1.0
  O  O22  1  0.87913500  0.87913500  0.45262300  1.0
  O  O23  1  0.12086500  0.12086500  0.54737700  1.0