# generated using pymatgen data_Zr2(PO4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.11602200 _cell_length_b 9.06872100 _cell_length_c 15.51918343 _cell_angle_alpha 54.80449921 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2(PO4)3 _chemical_formula_sum 'Zr8 P12 O48' _cell_volume 1048.43956316 _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 0.47060300 0.63029800 0.11993300 1.0 Zr Zr1 1 0.53658000 0.13185500 0.61871400 1.0 Zr Zr2 1 0.97060300 0.36970200 0.38006700 1.0 Zr Zr3 1 0.03658000 0.86814500 0.88128600 1.0 Zr Zr4 1 0.96342000 0.13185500 0.11871400 1.0 Zr Zr5 1 0.02939700 0.63029800 0.61993300 1.0 Zr Zr6 1 0.46342000 0.86814500 0.38128600 1.0 Zr Zr7 1 0.52939700 0.36970200 0.88006700 1.0 P P8 1 0.25093800 0.46265300 0.50626800 1.0 P P9 1 0.11474800 0.74884600 0.14372600 1.0 P P10 1 0.39590000 0.03071700 0.85772500 1.0 P P11 1 0.89590000 0.96928300 0.64227500 1.0 P P12 1 0.61474800 0.25115400 0.35627400 1.0 P P13 1 0.75093800 0.53734700 0.99373200 1.0 P P14 1 0.24906200 0.46265300 0.00626800 1.0 P P15 1 0.38525200 0.74884600 0.64372600 1.0 P P16 1 0.10410000 0.03071700 0.35772500 1.0 P P17 1 0.60410000 0.96928300 0.14227500 1.0 P P18 1 0.88525200 0.25115400 0.85627400 1.0 P P19 1 0.74906200 0.53734700 0.49373200 1.0 O O20 1 0.59845400 0.80446100 0.13718800 1.0 O O21 1 0.65351900 0.36958200 0.56745300 1.0 O O22 1 0.83328800 0.51496500 0.41573000 1.0 O O23 1 0.91865700 0.09350300 0.84736500 1.0 O O24 1 0.14329200 0.44208200 0.43749000 1.0 O O25 1 0.27994200 0.70399300 0.16271300 1.0 O O26 1 0.07099300 0.80243100 0.03364800 1.0 O O27 1 0.34791900 0.29319800 0.56873300 1.0 O O28 1 0.49931300 0.06185600 0.77016900 1.0 O O29 1 0.02382400 0.58245600 0.22770400 1.0 O O30 1 0.23666500 0.00615900 0.83471900 1.0 O O31 1 0.44503600 0.86123300 0.96393600 1.0 O O32 1 0.52382400 0.41754400 0.27229600 1.0 O O33 1 0.94503600 0.13876700 0.53606400 1.0 O O34 1 0.73666500 0.99384100 0.66528100 1.0 O O35 1 0.99931300 0.93814400 0.72983100 1.0 O O36 1 0.57099300 0.19756900 0.46635200 1.0 O O37 1 0.84791900 0.70680200 0.93126700 1.0 O O38 1 0.77994200 0.29600700 0.33728700 1.0 O O39 1 0.64329200 0.55791800 0.06251000 1.0 O O40 1 0.33328800 0.48503500 0.08427000 1.0 O O41 1 0.41865700 0.90649700 0.65263500 1.0 O O42 1 0.09845400 0.19553900 0.36281200 1.0 O O43 1 0.15351900 0.63041800 0.93254700 1.0 O O44 1 0.84648100 0.36958200 0.06745300 1.0 O O45 1 0.90154600 0.80446100 0.63718800 1.0 O O46 1 0.58134300 0.09350300 0.34736500 1.0 O O47 1 0.66671200 0.51496500 0.91573000 1.0 O O48 1 0.35670800 0.44208200 0.93749000 1.0 O O49 1 0.22005800 0.70399300 0.66271300 1.0 O O50 1 0.15208100 0.29319800 0.06873300 1.0 O O51 1 0.42900700 0.80243100 0.53364800 1.0 O O52 1 0.00068700 0.06185600 0.27016900 1.0 O O53 1 0.26333500 0.00615900 0.33471900 1.0 O O54 1 0.05496400 0.86123300 0.46393600 1.0 O O55 1 0.47617600 0.58245600 0.72770400 1.0 O O56 1 0.55496400 0.13876700 0.03606400 1.0 O O57 1 0.76333500 0.99384100 0.16528100 1.0 O O58 1 0.97617600 0.41754400 0.77229600 1.0 O O59 1 0.50068700 0.93814400 0.22983100 1.0 O O60 1 0.65208100 0.70680200 0.43126700 1.0 O O61 1 0.92900700 0.19756900 0.96635200 1.0 O O62 1 0.72005800 0.29600700 0.83728700 1.0 O O63 1 0.85670800 0.55791800 0.56251000 1.0 O O64 1 0.08134300 0.90649700 0.15263500 1.0 O O65 1 0.16671200 0.48503500 0.58427000 1.0 O O66 1 0.34648100 0.63041800 0.43254700 1.0 O O67 1 0.40154600 0.19553900 0.86281200 1.0