# generated using pymatgen
data_Ca2Ti2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.94311900
_cell_length_b   5.35137200
_cell_length_c   10.57661000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2Ti2O5
_chemical_formula_sum   'Ca4 Ti4 O10'
_cell_volume   223.17806941
_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  0.00000000  0.73372100  0.38281800  1.0
  Ca  Ca1  1  0.00000000  0.26627900  0.61718200  1.0
  Ca  Ca2  1  0.00000000  0.23372100  0.11718200  1.0
  Ca  Ca3  1  0.00000000  0.76627900  0.88281800  1.0
  Ti  Ti4  1  0.50000000  0.72382000  0.12762400  1.0
  Ti  Ti5  1  0.50000000  0.27618000  0.87237600  1.0
  Ti  Ti6  1  0.50000000  0.77618000  0.62762400  1.0
  Ti  Ti7  1  0.50000000  0.22382000  0.37237600  1.0
  O  O8  1  0.50000000  0.00000000  0.00000000  1.0
  O  O9  1  0.50000000  0.60622900  0.78766800  1.0
  O  O10  1  0.50000000  0.10622900  0.71233200  1.0
  O  O11  1  0.50000000  0.89377100  0.28766800  1.0
  O  O12  1  0.00000000  0.79559800  0.61225900  1.0
  O  O13  1  0.00000000  0.20440200  0.38774100  1.0
  O  O14  1  0.50000000  0.39377100  0.21233200  1.0
  O  O15  1  0.00000000  0.70440200  0.11225900  1.0
  O  O16  1  0.50000000  0.50000000  0.50000000  1.0
  O  O17  1  0.00000000  0.29559800  0.88774100  1.0