# generated using pymatgen
data_CaTi2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.36776819
_cell_length_b   6.36776819
_cell_length_c   15.23573700
_cell_angle_alpha   89.08057055
_cell_angle_beta   89.08057055
_cell_angle_gamma   58.02406879
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTi2O4
_chemical_formula_sum   'Ca6 Ti12 O24'
_cell_volume   523.96136658
_cell_formula_units_Z   6
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  0.83135100  0.83135100  0.96167600  1.0
  Ca  Ca1  1  0.16708700  0.16708700  0.66783800  1.0
  Ca  Ca2  1  0.33548100  0.33548100  0.83396100  1.0
  Ca  Ca3  1  0.83891600  0.83891600  0.32773100  1.0
  Ca  Ca4  1  0.00027400  0.00027400  0.49960900  1.0
  Ca  Ca5  1  0.66840000  0.66840000  0.16659400  1.0
  Ti  Ti6  1  0.82889200  0.33181400  0.83720500  1.0
  Ti  Ti7  1  0.50398400  0.50398400  0.62236800  1.0
  Ti  Ti8  1  0.49304100  0.49304100  0.00662800  1.0
  Ti  Ti9  1  0.33181400  0.82889200  0.83720500  1.0
  Ti  Ti10  1  0.50480100  0.99574800  0.49882600  1.0
  Ti  Ti11  1  0.17254800  0.17254800  0.28886700  1.0
  Ti  Ti12  1  0.99574800  0.50480100  0.49882600  1.0
  Ti  Ti13  1  0.19704600  0.64420900  0.15860900  1.0
  Ti  Ti14  1  0.82716600  0.82716600  0.71180100  1.0
  Ti  Ti15  1  0.64420900  0.19704600  0.15860900  1.0
  Ti  Ti16  1  0.49613700  0.49613700  0.37786000  1.0
  Ti  Ti17  1  0.15686700  0.15686700  0.03959400  1.0
  O  O18  1  0.66446400  0.21616300  0.91825100  1.0
  O  O19  1  0.51030400  0.51030400  0.74878900  1.0
  O  O20  1  0.21616300  0.66446400  0.91825100  1.0
  O  O21  1  0.64130800  0.64130800  0.91285800  1.0
  O  O22  1  0.35772900  0.82543000  0.57908100  1.0
  O  O23  1  0.99108600  0.99108600  0.76017700  1.0
  O  O24  1  0.17755400  0.17755400  0.41600500  1.0
  O  O25  1  0.50801100  0.96839600  0.75841500  1.0
  O  O26  1  0.82543000  0.35772900  0.57908100  1.0
  O  O27  1  0.15622600  0.15622600  0.91574100  1.0
  O  O28  1  0.34048300  0.34048300  0.57886300  1.0
  O  O29  1  0.96839600  0.50801100  0.75841500  1.0
  O  O30  1  0.03056300  0.48789300  0.24310300  1.0
  O  O31  1  0.66139200  0.66139200  0.42045300  1.0
  O  O32  1  0.17354900  0.64176600  0.42051400  1.0
  O  O33  1  0.48789300  0.03056300  0.24310300  1.0
  O  O34  1  0.85425900  0.85425900  0.10605300  1.0
  O  O35  1  0.82228200  0.82228200  0.58361100  1.0
  O  O36  1  0.01554900  0.01554900  0.24484700  1.0
  O  O37  1  0.64176600  0.17354900  0.42051400  1.0
  O  O38  1  0.32468700  0.32468700  0.07453300  1.0
  O  O39  1  0.82411400  0.32783100  0.07806300  1.0
  O  O40  1  0.49024400  0.49024400  0.24951700  1.0
  O  O41  1  0.32783100  0.82411400  0.07806300  1.0