# generated using pymatgen
data_CaTi2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.18198830
_cell_length_b   6.18198830
_cell_length_c   15.82593400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000321
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTi2O4
_chemical_formula_sum   'Ca6 Ti12 O24'
_cell_volume   523.78894184
_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  0.33333300  0.66666700  0.95904400  1.0
  Ca  Ca1  1  0.00000000  0.00000000  0.62715500  1.0
  Ca  Ca2  1  0.66666700  0.33333300  0.66234800  1.0
  Ca  Ca3  1  0.66666700  0.33333300  0.29434800  1.0
  Ca  Ca4  1  0.00000000  0.00000000  0.99931600  1.0
  Ca  Ca5  1  0.00000000  0.00000000  0.37595900  1.0
  Ti  Ti6  1  0.34492700  0.17246400  0.83495300  1.0
  Ti  Ti7  1  0.82753600  0.17246400  0.83495300  1.0
  Ti  Ti8  1  0.01105400  0.50552700  0.49813600  1.0
  Ti  Ti9  1  0.82753600  0.65507300  0.83495300  1.0
  Ti  Ti10  1  0.49447300  0.50552700  0.49813600  1.0
  Ti  Ti11  1  0.33333300  0.66666700  0.33066100  1.0
  Ti  Ti12  1  0.33333300  0.66666700  0.71360400  1.0
  Ti  Ti13  1  0.66332700  0.83166300  0.17056600  1.0
  Ti  Ti14  1  0.49447300  0.98894600  0.49813600  1.0
  Ti  Ti15  1  0.16833700  0.83166300  0.17056600  1.0
  Ti  Ti16  1  0.16833700  0.33667300  0.17056600  1.0
  Ti  Ti17  1  0.66666700  0.33333300  0.04947800  1.0
  O  O18  1  0.69939200  0.84969600  0.89988000  1.0
  O  O19  1  0.00000000  0.00000000  0.76744200  1.0
  O  O20  1  0.15030400  0.84969600  0.89988000  1.0
  O  O21  1  0.15030400  0.30060800  0.89988000  1.0
  O  O22  1  0.35989900  0.17995000  0.56093500  1.0
  O  O23  1  0.49875300  0.99750600  0.75551800  1.0
  O  O24  1  0.66666700  0.33333300  0.43170600  1.0
  O  O25  1  0.49875300  0.50124700  0.75551800  1.0
  O  O26  1  0.66666700  0.33333300  0.92559900  1.0
  O  O27  1  0.82005000  0.17995000  0.56093500  1.0
  O  O28  1  0.82005000  0.64010100  0.56093500  1.0
  O  O29  1  0.00249400  0.50124700  0.75551800  1.0
  O  O30  1  0.04533000  0.52266500  0.24617000  1.0
  O  O31  1  0.19272700  0.38545400  0.41792000  1.0
  O  O32  1  0.19272700  0.80727300  0.41792000  1.0
  O  O33  1  0.33333300  0.66666700  0.10281900  1.0
  O  O34  1  0.33333300  0.66666700  0.58672700  1.0
  O  O35  1  0.47733500  0.52266500  0.24617000  1.0
  O  O36  1  0.47733500  0.95467000  0.24617000  1.0
  O  O37  1  0.61454600  0.80727300  0.41792000  1.0
  O  O38  1  0.83064200  0.66128300  0.09513200  1.0
  O  O39  1  0.83064200  0.16935800  0.09513200  1.0
  O  O40  1  0.00000000  0.00000000  0.23555100  1.0
  O  O41  1  0.33871700  0.16935800  0.09513200  1.0