# generated using pymatgen data_Zr(PO4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.80058748 _cell_length_b 9.80058748 _cell_length_c 9.80058748 _cell_angle_alpha 108.26448732 _cell_angle_beta 108.26448732 _cell_angle_gamma 111.91262015 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr(PO4)2 _chemical_formula_sum 'Zr4 P8 O32' _cell_volume 723.66881330 _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 Zr Zr0 1 0.74635600 0.24635600 0.50000000 1.0 Zr Zr1 1 0.24635600 0.74635600 0.50000000 1.0 Zr Zr2 1 0.49635600 0.49635600 0.00000000 1.0 Zr Zr3 1 0.99635600 0.99635600 0.00000000 1.0 P P4 1 0.53310800 0.18811800 0.73872500 1.0 P P5 1 0.94939300 0.68811800 0.65501100 1.0 P P6 1 0.43811800 0.19939300 0.15501100 1.0 P P7 1 0.93811800 0.78310800 0.23872500 1.0 P P8 1 0.44939300 0.79438200 0.26127500 1.0 P P9 1 0.03310800 0.29438200 0.34498900 1.0 P P10 1 0.04438200 0.28310800 0.84498900 1.0 P P11 1 0.54438200 0.69939300 0.76127500 1.0 O O12 1 0.62005400 0.23608200 0.64033900 1.0 O O13 1 0.09574300 0.73608200 0.61602900 1.0 O O14 1 0.48608200 0.34574300 0.11602900 1.0 O O15 1 0.98608200 0.87005400 0.14033900 1.0 O O16 1 0.59574300 0.97971500 0.35966100 1.0 O O17 1 0.12005400 0.47971500 0.38397100 1.0 O O18 1 0.22971500 0.37005400 0.88397100 1.0 O O19 1 0.72971500 0.84574300 0.85966100 1.0 O O20 1 0.92603800 0.23321800 0.66903400 1.0 O O21 1 0.06418400 0.73321800 0.30718000 1.0 O O22 1 0.48321800 0.31418400 0.80718000 1.0 O O23 1 0.98321800 0.17603800 0.16903400 1.0 O O24 1 0.56418400 0.25700400 0.33096600 1.0 O O25 1 0.42603800 0.75700400 0.69282000 1.0 O O26 1 0.50700400 0.67603800 0.19282000 1.0 O O27 1 0.00700400 0.81418400 0.83096600 1.0 O O28 1 0.87567800 0.24848900 0.36619600 1.0 O O29 1 0.38229300 0.74848900 0.37281100 1.0 O O30 1 0.49848900 0.63229300 0.87281100 1.0 O O31 1 0.99848900 0.12567800 0.86619600 1.0 O O32 1 0.88229300 0.50948200 0.63380400 1.0 O O33 1 0.37567800 0.00948200 0.62718900 1.0 O O34 1 0.75948200 0.62567800 0.12718900 1.0 O O35 1 0.25948200 0.13229300 0.13380400 1.0 O O36 1 0.67103600 0.19960600 0.88148800 1.0 O O37 1 0.81811800 0.69960600 0.52857000 1.0 O O38 1 0.44960600 0.06811800 0.02857000 1.0 O O39 1 0.94960600 0.92103600 0.38148800 1.0 O O40 1 0.31811800 0.78954800 0.11851200 1.0 O O41 1 0.17103600 0.28954800 0.47143000 1.0 O O42 1 0.03954800 0.42103600 0.97143000 1.0 O O43 1 0.53954800 0.56811800 0.61851200 1.0