# generated using pymatgen data_Zn3(PO6)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90214600 _cell_length_b 10.47271600 _cell_length_c 17.07675000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn3(PO6)2 _chemical_formula_sum 'Zn12 P8 O48' _cell_volume 876.69956001 _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 Zn Zn0 1 0.49839100 0.52713000 0.25000000 1.0 Zn Zn1 1 0.00160900 0.02713000 0.25000000 1.0 Zn Zn2 1 0.50160900 0.47287000 0.75000000 1.0 Zn Zn3 1 0.99839100 0.97287000 0.75000000 1.0 Zn Zn4 1 0.99784600 0.74459700 0.15422800 1.0 Zn Zn5 1 0.50215400 0.24459700 0.34577200 1.0 Zn Zn6 1 0.00215400 0.25540300 0.65422800 1.0 Zn Zn7 1 0.49784600 0.75540300 0.84577200 1.0 Zn Zn8 1 0.00215400 0.25540300 0.84577200 1.0 Zn Zn9 1 0.49784600 0.75540300 0.65422800 1.0 Zn Zn10 1 0.99784600 0.74459700 0.34577200 1.0 Zn Zn11 1 0.50215400 0.24459700 0.15422800 1.0 P P12 1 0.25021900 0.59533800 0.00004500 1.0 P P13 1 0.24978100 0.09533800 0.49995500 1.0 P P14 1 0.74978100 0.40466200 0.50004500 1.0 P P15 1 0.75021900 0.90466200 0.99995500 1.0 P P16 1 0.74978100 0.40466200 0.99995500 1.0 P P17 1 0.75021900 0.90466200 0.50004500 1.0 P P18 1 0.25021900 0.59533800 0.49995500 1.0 P P19 1 0.24978100 0.09533800 0.00004500 1.0 O O20 1 0.50000000 0.50000000 0.00000000 1.0 O O21 1 0.00000000 0.00000000 0.50000000 1.0 O O22 1 0.50000000 0.50000000 0.50000000 1.0 O O23 1 0.00000000 0.00000000 0.00000000 1.0 O O24 1 0.00000000 0.50000000 0.00000000 1.0 O O25 1 0.50000000 0.00000000 0.50000000 1.0 O O26 1 0.00000000 0.50000000 0.50000000 1.0 O O27 1 0.50000000 0.00000000 0.00000000 1.0 O O28 1 0.25369600 0.66840000 0.07567500 1.0 O O29 1 0.24630400 0.16840000 0.42432500 1.0 O O30 1 0.74630400 0.33160000 0.57567500 1.0 O O31 1 0.75369600 0.83160000 0.92432500 1.0 O O32 1 0.74630400 0.33160000 0.92432500 1.0 O O33 1 0.75369600 0.83160000 0.57567500 1.0 O O34 1 0.25369600 0.66840000 0.42432500 1.0 O O35 1 0.24630400 0.16840000 0.07567500 1.0 O O36 1 0.74879700 0.83021000 0.07513100 1.0 O O37 1 0.75120300 0.33021000 0.42486900 1.0 O O38 1 0.25120300 0.16979000 0.57513100 1.0 O O39 1 0.24879700 0.66979000 0.92486900 1.0 O O40 1 0.25120300 0.16979000 0.92486900 1.0 O O41 1 0.24879700 0.66979000 0.57513100 1.0 O O42 1 0.74879700 0.83021000 0.42486900 1.0 O O43 1 0.75120300 0.33021000 0.07513100 1.0 O O44 1 0.20932500 0.66128400 0.25000000 1.0 O O45 1 0.29067500 0.16128400 0.25000000 1.0 O O46 1 0.79067500 0.33871600 0.75000000 1.0 O O47 1 0.70932500 0.83871600 0.75000000 1.0 O O48 1 0.81754000 0.83774400 0.25000000 1.0 O O49 1 0.68246000 0.33774400 0.25000000 1.0 O O50 1 0.18246000 0.16225600 0.75000000 1.0 O O51 1 0.31754000 0.66225600 0.75000000 1.0 O O52 1 0.77311000 0.59090200 0.17680900 1.0 O O53 1 0.72689000 0.09090200 0.32319100 1.0 O O54 1 0.22689000 0.40909800 0.67680900 1.0 O O55 1 0.27311000 0.90909800 0.82319100 1.0 O O56 1 0.22689000 0.40909800 0.82319100 1.0 O O57 1 0.27311000 0.90909800 0.67680900 1.0 O O58 1 0.77311000 0.59090200 0.32319100 1.0 O O59 1 0.72689000 0.09090200 0.17680900 1.0 O O60 1 0.21515800 0.90245700 0.18418600 1.0 O O61 1 0.28484200 0.40245700 0.31581400 1.0 O O62 1 0.78484200 0.09754300 0.68418600 1.0 O O63 1 0.71515800 0.59754300 0.81581400 1.0 O O64 1 0.78484200 0.09754300 0.81581400 1.0 O O65 1 0.71515800 0.59754300 0.68418600 1.0 O O66 1 0.21515800 0.90245700 0.31581400 1.0 O O67 1 0.28484200 0.40245700 0.18418600 1.0