# generated using pymatgen
data_Ca2Ti2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.75438300
_cell_length_b   7.60878800
_cell_length_c   10.82059255
_cell_angle_alpha   45.87286551
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2Ti2O5
_chemical_formula_sum   'Ca8 Ti8 O20'
_cell_volume   458.26342620
_cell_formula_units_Z   4
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  0.75760000  0.46602800  0.26575200  1.0
  Ca  Ca1  1  0.74240000  0.46602800  0.76575200  1.0
  Ca  Ca2  1  0.24505100  0.04210800  0.73592800  1.0
  Ca  Ca3  1  0.25494900  0.04210800  0.23592800  1.0
  Ca  Ca4  1  0.74505100  0.95789200  0.76407200  1.0
  Ca  Ca5  1  0.75494900  0.95789200  0.26407200  1.0
  Ca  Ca6  1  0.25760000  0.53397200  0.23424800  1.0
  Ca  Ca7  1  0.24240000  0.53397200  0.73424800  1.0
  Ti  Ti8  1  0.50000000  0.50000000  0.50000000  1.0
  Ti  Ti9  1  0.50000000  0.50000000  0.00000000  1.0
  Ti  Ti10  1  0.50000000  0.00000000  0.00000000  1.0
  Ti  Ti11  1  0.50000000  0.00000000  0.50000000  1.0
  Ti  Ti12  1  0.00000000  0.00000000  0.00000000  1.0
  Ti  Ti13  1  0.00000000  0.00000000  0.50000000  1.0
  Ti  Ti14  1  0.00000000  0.50000000  0.50000000  1.0
  Ti  Ti15  1  0.00000000  0.50000000  0.00000000  1.0
  O  O16  1  0.25454000  0.98043200  0.54403800  1.0
  O  O17  1  0.24546000  0.98043200  0.04403800  1.0
  O  O18  1  0.75492900  0.51826200  0.02595800  1.0
  O  O19  1  0.74507100  0.51826200  0.52595800  1.0
  O  O20  1  0.25492900  0.48173800  0.47404200  1.0
  O  O21  1  0.24507100  0.48173800  0.97404200  1.0
  O  O22  1  0.75454000  0.01956800  0.95596200  1.0
  O  O23  1  0.74546000  0.01956800  0.45596200  1.0
  O  O24  1  0.96196900  0.20951500  0.54131900  1.0
  O  O25  1  0.03830900  0.28139700  0.75490600  1.0
  O  O26  1  0.03703700  0.29296600  0.24574900  1.0
  O  O27  1  0.53830900  0.71860300  0.74509400  1.0
  O  O28  1  0.53703700  0.70703400  0.25425100  1.0
  O  O29  1  0.46196900  0.79048500  0.95868100  1.0
  O  O30  1  0.53803100  0.20951500  0.04131900  1.0
  O  O31  1  0.46296300  0.29296600  0.74574900  1.0
  O  O32  1  0.46169100  0.28139700  0.25490600  1.0
  O  O33  1  0.03803100  0.79048500  0.45868100  1.0
  O  O34  1  0.96296300  0.70703400  0.75425100  1.0
  O  O35  1  0.96169100  0.71860300  0.24509400  1.0