# generated using pymatgen data_TiZnP2O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.01417800 _cell_length_b 6.53934101 _cell_length_c 7.31550060 _cell_angle_alpha 82.27548706 _cell_angle_beta 84.23802562 _cell_angle_gamma 69.16208815 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiZnP2O7 _chemical_formula_sum 'Ti2 Zn2 P4 O14' _cell_volume 266.02082898 _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 0.24755400 0.14701700 0.19470900 1.0 Ti Ti1 1 0.75244600 0.85298300 0.80529100 1.0 Zn Zn2 1 0.36688100 0.65500900 0.66750300 1.0 Zn Zn3 1 0.63311900 0.34499100 0.33249700 1.0 P P4 1 0.18041800 0.67103000 0.09721100 1.0 P P5 1 0.81958200 0.32897000 0.90278900 1.0 P P6 1 0.23920200 0.20748300 0.61469500 1.0 P P7 1 0.76079800 0.79251700 0.38530500 1.0 O O8 1 0.11508500 0.70299100 0.89306700 1.0 O O9 1 0.88491500 0.29700900 0.10693300 1.0 O O10 1 0.27523100 0.83832500 0.14813000 1.0 O O11 1 0.72476900 0.16167500 0.85187000 1.0 O O12 1 0.34700100 0.43291700 0.15291400 1.0 O O13 1 0.65299900 0.56708300 0.84708600 1.0 O O14 1 0.61741200 0.63486700 0.43276200 1.0 O O15 1 0.38258800 0.36513300 0.56723800 1.0 O O16 1 0.08524600 0.21177900 0.45854600 1.0 O O17 1 0.91475400 0.78822100 0.54145400 1.0 O O18 1 0.07192900 0.30601700 0.79232400 1.0 O O19 1 0.60471700 0.02829400 0.31467700 1.0 O O20 1 0.39528300 0.97170600 0.68532300 1.0 O O21 1 0.92807100 0.69398300 0.20767600 1.0