# generated using pymatgen
data_CaTi2(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.13108959
_cell_length_b   9.13108959
_cell_length_c   17.03203469
_cell_angle_alpha   62.90435315
_cell_angle_beta   62.90435315
_cell_angle_gamma   32.03079366
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTi2(PO4)2
_chemical_formula_sum   'Ca4 Ti8 P8 O32'
_cell_volume   663.24055840
_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  0.47453500  0.83109300  0.85912800  1.0
  Ca  Ca1  1  0.16890700  0.52546500  0.64087200  1.0
  Ca  Ca2  1  0.83109300  0.47453500  0.35912800  1.0
  Ca  Ca3  1  0.52546500  0.16890700  0.14087200  1.0
  Ti  Ti4  1  0.19324900  0.61675800  0.95564600  1.0
  Ti  Ti5  1  0.38324200  0.80675100  0.54435400  1.0
  Ti  Ti6  1  0.80675100  0.38324200  0.04435400  1.0
  Ti  Ti7  1  0.50000000  0.00000000  0.00000000  1.0
  Ti  Ti8  1  0.61675800  0.19324900  0.45564600  1.0
  Ti  Ti9  1  0.67805800  0.32194200  0.25000000  1.0
  Ti  Ti10  1  0.32194200  0.67805800  0.75000000  1.0
  Ti  Ti11  1  0.00000000  0.50000000  0.50000000  1.0
  P  P12  1  0.04225800  0.51990600  0.86348400  1.0
  P  P13  1  0.76667900  0.19948500  0.61185300  1.0
  P  P14  1  0.95774200  0.48009400  0.13651600  1.0
  P  P15  1  0.19948500  0.76667900  0.11185300  1.0
  P  P16  1  0.51990600  0.04225800  0.36348400  1.0
  P  P17  1  0.48009400  0.95774200  0.63651600  1.0
  P  P18  1  0.23332100  0.80051500  0.38814700  1.0
  P  P19  1  0.80051500  0.23332100  0.88814700  1.0
  O  O20  1  0.70025400  0.80046000  0.10968600  1.0
  O  O21  1  0.81877600  0.33578600  0.93080100  1.0
  O  O22  1  0.80046000  0.70025400  0.60968600  1.0
  O  O23  1  0.80250900  0.35777100  0.54108300  1.0
  O  O24  1  0.20243800  0.35540200  0.05594400  1.0
  O  O25  1  0.55204400  0.34805300  0.69350000  1.0
  O  O26  1  0.64222900  0.19749100  0.95891700  1.0
  O  O27  1  0.89357200  0.06138700  0.13767500  1.0
  O  O28  1  0.19749100  0.64222900  0.45891700  1.0
  O  O29  1  0.66421400  0.18122400  0.56919900  1.0
  O  O30  1  0.89273000  0.35796900  0.14876900  1.0
  O  O31  1  0.61106900  0.93709400  0.28287700  1.0
  O  O32  1  0.18122400  0.66421400  0.06919900  1.0
  O  O33  1  0.06138700  0.89357200  0.63767500  1.0
  O  O34  1  0.29974600  0.19954000  0.89031400  1.0
  O  O35  1  0.10727000  0.64203100  0.85123100  1.0
  O  O36  1  0.93709400  0.61106900  0.78287700  1.0
  O  O37  1  0.35777100  0.80250900  0.04108300  1.0
  O  O38  1  0.35796900  0.89273000  0.64876900  1.0
  O  O39  1  0.38893100  0.06290600  0.71712300  1.0
  O  O40  1  0.93861300  0.10642800  0.36232500  1.0
  O  O41  1  0.35540200  0.20243800  0.55594400  1.0
  O  O42  1  0.10642800  0.93861300  0.86232500  1.0
  O  O43  1  0.34805300  0.55204400  0.19350000  1.0
  O  O44  1  0.33578600  0.81877600  0.43080100  1.0
  O  O45  1  0.19954000  0.29974600  0.39031400  1.0
  O  O46  1  0.06290600  0.38893100  0.21712300  1.0
  O  O47  1  0.64459800  0.79756200  0.44405600  1.0
  O  O48  1  0.79756200  0.64459800  0.94405600  1.0
  O  O49  1  0.65194700  0.44795600  0.80650000  1.0
  O  O50  1  0.44795600  0.65194700  0.30650000  1.0
  O  O51  1  0.64203100  0.10727000  0.35123100  1.0