# generated using pymatgen
data_CaTi3P3O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.47357300
_cell_length_b   7.75499100
_cell_length_c   10.40547583
_cell_angle_alpha   80.22153392
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTi3P3O13
_chemical_formula_sum   'Ca2 Ti6 P6 O26'
_cell_volume   514.79164998
_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  0.75000000  0.34967800  0.19142000  1.0
  Ca  Ca1  1  0.25000000  0.65032200  0.80858000  1.0
  Ti  Ti2  1  0.25000000  0.64878800  0.19988900  1.0
  Ti  Ti3  1  0.75000000  0.35121200  0.80011100  1.0
  Ti  Ti4  1  0.25000000  0.20739200  0.43640500  1.0
  Ti  Ti5  1  0.50000000  0.00000000  0.00000000  1.0
  Ti  Ti6  1  0.75000000  0.79260800  0.56359500  1.0
  Ti  Ti7  1  0.00000000  0.00000000  0.00000000  1.0
  P  P8  1  0.25000000  0.78072000  0.49068400  1.0
  P  P9  1  0.75000000  0.21928000  0.50931600  1.0
  P  P10  1  0.25000000  0.26285500  0.76148500  1.0
  P  P11  1  0.75000000  0.73714500  0.23851500  1.0
  P  P12  1  0.75000000  0.68216900  0.88474700  1.0
  P  P13  1  0.25000000  0.31783100  0.11525300  1.0
  O  O14  1  0.75000000  0.64003700  0.74244800  1.0
  O  O15  1  0.56146900  0.24944700  0.41631500  1.0
  O  O16  1  0.25000000  0.21509400  0.62487700  1.0
  O  O17  1  0.55108800  0.78670900  0.90268200  1.0
  O  O18  1  0.75000000  0.34080700  0.60994700  1.0
  O  O19  1  0.75000000  0.13362600  0.90490400  1.0
  O  O20  1  0.25000000  0.65919300  0.39005300  1.0
  O  O21  1  0.05108800  0.21329100  0.09731800  1.0
  O  O22  1  0.25000000  0.97414000  0.41609500  1.0
  O  O23  1  0.75000000  0.02586000  0.58390500  1.0
  O  O24  1  0.06354000  0.37894200  0.78533900  1.0
  O  O25  1  0.25000000  0.86637400  0.09509600  1.0
  O  O26  1  0.56354000  0.62105800  0.21466100  1.0
  O  O27  1  0.75000000  0.49506100  0.96498200  1.0
  O  O28  1  0.75000000  0.78490600  0.37512300  1.0
  O  O29  1  0.44891200  0.21329100  0.09731800  1.0
  O  O30  1  0.93853100  0.24944700  0.41631500  1.0
  O  O31  1  0.43853100  0.75055300  0.58368500  1.0
  O  O32  1  0.43646000  0.37894200  0.78533900  1.0
  O  O33  1  0.25000000  0.35996300  0.25755200  1.0
  O  O34  1  0.75000000  0.90941400  0.13495600  1.0
  O  O35  1  0.25000000  0.09058600  0.86504400  1.0
  O  O36  1  0.93646000  0.62105800  0.21466100  1.0
  O  O37  1  0.94891200  0.78670900  0.90268200  1.0
  O  O38  1  0.06146900  0.75055300  0.58368500  1.0
  O  O39  1  0.25000000  0.50493900  0.03501800  1.0