# generated using pymatgen
data_CaTi2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.45482462
_cell_length_b   6.45482462
_cell_length_c   6.45482442
_cell_angle_alpha   56.23463296
_cell_angle_beta   56.23463296
_cell_angle_gamma   56.23463624
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTi2O4
_chemical_formula_sum   'Ca2 Ti4 O8'
_cell_volume   173.59729625
_cell_formula_units_Z   2
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  0.99629600  0.99629600  0.99629600  1.0
  Ca  Ca1  1  0.62839200  0.62839200  0.62839200  1.0
  Ti  Ti2  1  0.24459700  0.24459700  0.24459700  1.0
  Ti  Ti3  1  0.61851200  0.13449900  0.61851200  1.0
  Ti  Ti4  1  0.61851200  0.61851200  0.13449900  1.0
  Ti  Ti5  1  0.13449900  0.61851200  0.61851200  1.0
  O  O6  1  0.86980300  0.36868500  0.36868500  1.0
  O  O7  1  0.36868500  0.36868500  0.86980300  1.0
  O  O8  1  0.36868500  0.86980300  0.36868500  1.0
  O  O9  1  0.36410500  0.36410500  0.36410500  1.0
  O  O10  1  0.85768200  0.85768200  0.85768200  1.0
  O  O11  1  0.87848300  0.42327000  0.87848300  1.0
  O  O12  1  0.87848300  0.87848300  0.42327000  1.0
  O  O13  1  0.42327000  0.87848300  0.87848300  1.0