# generated using pymatgen
data_CaTi2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18249826
_cell_length_b   7.23725158
_cell_length_c   7.23725158
_cell_angle_alpha   76.71596148
_cell_angle_beta   69.44869267
_cell_angle_gamma   69.44869267
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTi2O6
_chemical_formula_sum   'Ca2 Ti4 O12'
_cell_volume   236.23267155
_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  0.25000000  0.25175800  0.24824200  1.0
  Ca  Ca1  1  0.75000000  0.74824200  0.75175800  1.0
  Ti  Ti2  1  0.97750200  0.85453900  0.17920400  1.0
  Ti  Ti3  1  0.52249800  0.32079600  0.64546100  1.0
  Ti  Ti4  1  0.02249800  0.14546100  0.82079600  1.0
  Ti  Ti5  1  0.47750200  0.67920400  0.35453900  1.0
  O  O6  1  0.46390600  0.39971000  0.39227400  1.0
  O  O7  1  0.03609400  0.10772600  0.10029000  1.0
  O  O8  1  0.53609400  0.60029000  0.60772600  1.0
  O  O9  1  0.96390600  0.89227400  0.89971000  1.0
  O  O10  1  0.06568900  0.79057000  0.42802000  1.0
  O  O11  1  0.43431100  0.07198000  0.70943000  1.0
  O  O12  1  0.93431100  0.20943000  0.57198000  1.0
  O  O13  1  0.56568900  0.92802000  0.29057000  1.0
  O  O14  1  0.91728700  0.58004500  0.22203400  1.0
  O  O15  1  0.58271300  0.27796600  0.91995500  1.0
  O  O16  1  0.08271300  0.41995500  0.77796600  1.0
  O  O17  1  0.41728700  0.72203400  0.08004500  1.0