# generated using pymatgen
data_CaTi2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14758271
_cell_length_b   5.14758271
_cell_length_c   10.14775000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   145.21176246
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTi2O4
_chemical_formula_sum   'Ca2 Ti4 O8'
_cell_volume   153.41446660
_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  0.62016500  0.37983500  0.75000000  1.0
  Ca  Ca1  1  0.37983500  0.62016500  0.25000000  1.0
  Ti  Ti2  1  0.12412200  0.87587800  0.06464800  1.0
  Ti  Ti3  1  0.87587800  0.12412200  0.93535200  1.0
  Ti  Ti4  1  0.12412200  0.87587800  0.43535200  1.0
  Ti  Ti5  1  0.87587800  0.12412200  0.56464800  1.0
  O  O6  1  0.76702200  0.23297800  0.39348000  1.0
  O  O7  1  0.23297800  0.76702200  0.60652000  1.0
  O  O8  1  0.23297800  0.76702200  0.89348000  1.0
  O  O9  1  0.76702200  0.23297800  0.10652000  1.0
  O  O10  1  0.06171000  0.93829000  0.25000000  1.0
  O  O11  1  0.93829000  0.06171000  0.75000000  1.0
  O  O12  1  0.50000000  0.50000000  0.00000000  1.0
  O  O13  1  0.50000000  0.50000000  0.50000000  1.0