# generated using pymatgen
data_Ti3Zn(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.89131000
_cell_length_b   7.62851600
_cell_length_c   9.78191764
_cell_angle_alpha   67.96239334
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Zn(P2O7)2
_chemical_formula_sum   'Ti6 Zn2 P8 O28'
_cell_volume   545.83797890
_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
  Ti  Ti0  1  0.13539500  0.81573500  0.52715300  1.0
  Ti  Ti1  1  0.63539500  0.18426500  0.97284700  1.0
  Ti  Ti2  1  0.86460500  0.18426500  0.47284700  1.0
  Ti  Ti3  1  0.36460500  0.81573500  0.02715300  1.0
  Ti  Ti4  1  0.00000000  0.00000000  0.00000000  1.0
  Ti  Ti5  1  0.50000000  0.00000000  0.50000000  1.0
  Zn  Zn6  1  0.00000000  0.50000000  0.00000000  1.0
  Zn  Zn7  1  0.50000000  0.50000000  0.50000000  1.0
  P  P8  1  0.95069400  0.39348000  0.69882700  1.0
  P  P9  1  0.45069400  0.60652000  0.80117300  1.0
  P  P10  1  0.04930600  0.60652000  0.30117300  1.0
  P  P11  1  0.54930600  0.39348000  0.19882700  1.0
  P  P12  1  0.20589000  0.11669700  0.69096200  1.0
  P  P13  1  0.70589000  0.88330300  0.80903800  1.0
  P  P14  1  0.79411000  0.88330300  0.30903800  1.0
  P  P15  1  0.29411000  0.11669700  0.19096200  1.0
  O  O16  1  0.37714300  0.13632400  0.61637700  1.0
  O  O17  1  0.87714300  0.86367600  0.88362300  1.0
  O  O18  1  0.62285700  0.86367600  0.38362300  1.0
  O  O19  1  0.12285700  0.13632400  0.11637700  1.0
  O  O20  1  0.39183600  0.73296800  0.64122400  1.0
  O  O21  1  0.89183600  0.26703200  0.85877600  1.0
  O  O22  1  0.60816400  0.26703200  0.35877600  1.0
  O  O23  1  0.10816400  0.73296800  0.14122400  1.0
  O  O24  1  0.83554200  0.35223300  0.58936100  1.0
  O  O25  1  0.33554200  0.64776700  0.91063900  1.0
  O  O26  1  0.16445800  0.64776700  0.41063900  1.0
  O  O27  1  0.66445800  0.35223300  0.08936100  1.0
  O  O28  1  0.14002800  0.31946600  0.67773600  1.0
  O  O29  1  0.64002800  0.68053400  0.82226400  1.0
  O  O30  1  0.85997200  0.68053400  0.32226400  1.0
  O  O31  1  0.35997200  0.31946600  0.17773600  1.0
  O  O32  1  0.52115400  0.60062300  0.17089200  1.0
  O  O33  1  0.02115400  0.39937700  0.32910800  1.0
  O  O34  1  0.47884600  0.39937700  0.82910800  1.0
  O  O35  1  0.97884600  0.60062300  0.67089200  1.0
  O  O36  1  0.79042600  0.99243100  0.13976100  1.0
  O  O37  1  0.29042600  0.00756900  0.36023900  1.0
  O  O38  1  0.20957400  0.00756900  0.86023900  1.0
  O  O39  1  0.70957400  0.99243100  0.63976100  1.0
  O  O40  1  0.42282300  0.03295600  0.11135000  1.0
  O  O41  1  0.92282300  0.96704400  0.38865000  1.0
  O  O42  1  0.57717700  0.96704400  0.88865000  1.0
  O  O43  1  0.07717700  0.03295600  0.61135000  1.0