# generated using pymatgen data_NaZnP2HClO7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.01980000 _cell_length_b 8.01980000 _cell_length_c 22.60642900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaZnP2HClO7 _chemical_formula_sum 'Na8 Zn8 P16 H8 Cl8 O56' _cell_volume 1453.98203533 _cell_formula_units_Z 8 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 Na Na0 1 0.14523800 0.85476200 0.75000000 1.0 Na Na1 1 0.85476200 0.14523800 0.25000000 1.0 Na Na2 1 0.35476200 0.35476200 0.50000000 1.0 Na Na3 1 0.64523800 0.64523800 0.00000000 1.0 Na Na4 1 0.84937200 0.15062800 0.75000000 1.0 Na Na5 1 0.15062800 0.84937200 0.25000000 1.0 Na Na6 1 0.65062800 0.65062800 0.50000000 1.0 Na Na7 1 0.34937200 0.34937200 0.00000000 1.0 Zn Zn8 1 0.00132100 0.50869700 0.62969700 1.0 Zn Zn9 1 0.99867900 0.49130300 0.12969700 1.0 Zn Zn10 1 0.00869700 0.49867900 0.37969700 1.0 Zn Zn11 1 0.99130300 0.50132100 0.87969700 1.0 Zn Zn12 1 0.49130300 0.99867900 0.87030300 1.0 Zn Zn13 1 0.50869700 0.00132100 0.37030300 1.0 Zn Zn14 1 0.49867900 0.00869700 0.62030300 1.0 Zn Zn15 1 0.50132100 0.99130300 0.12030300 1.0 P P16 1 0.37411000 0.64019300 0.64295100 1.0 P P17 1 0.62589000 0.35980700 0.14295100 1.0 P P18 1 0.14019300 0.12589000 0.39295100 1.0 P P19 1 0.85980700 0.87411000 0.89295100 1.0 P P20 1 0.35980700 0.62589000 0.85704900 1.0 P P21 1 0.64019300 0.37411000 0.35704900 1.0 P P22 1 0.12589000 0.14019300 0.60704900 1.0 P P23 1 0.87411000 0.85980700 0.10704900 1.0 P P24 1 0.86320200 0.87449200 0.60891500 1.0 P P25 1 0.13679800 0.12550800 0.10891500 1.0 P P26 1 0.37449200 0.63679800 0.35891500 1.0 P P27 1 0.62550800 0.36320200 0.85891500 1.0 P P28 1 0.12550800 0.13679800 0.89108500 1.0 P P29 1 0.87449200 0.86320200 0.39108500 1.0 P P30 1 0.63679800 0.37449200 0.64108500 1.0 P P31 1 0.36320200 0.62550800 0.14108500 1.0 H H32 1 0.28572900 0.83850200 0.46982200 1.0 H H33 1 0.71427100 0.16149800 0.96982200 1.0 H H34 1 0.33850200 0.21427100 0.21982200 1.0 H H35 1 0.66149800 0.78572900 0.71982200 1.0 H H36 1 0.16149800 0.71427100 0.03017800 1.0 H H37 1 0.83850200 0.28572900 0.53017800 1.0 H H38 1 0.21427100 0.33850200 0.78017800 1.0 H H39 1 0.78572900 0.66149800 0.28017800 1.0 Cl Cl40 1 0.18456900 0.78307800 0.51052500 1.0 Cl Cl41 1 0.81543100 0.21692200 0.01052500 1.0 Cl Cl42 1 0.28307800 0.31543100 0.26052500 1.0 Cl Cl43 1 0.71692200 0.68456900 0.76052500 1.0 Cl Cl44 1 0.21692200 0.81543100 0.98947500 1.0 Cl Cl45 1 0.78307800 0.18456900 0.48947500 1.0 Cl Cl46 1 0.31543100 0.28307800 0.73947500 1.0 Cl Cl47 1 0.68456900 0.71692200 0.23947500 1.0 O O48 1 0.87114600 0.89755700 0.67571100 1.0 O O49 1 0.12885400 0.10244300 0.17571100 1.0 O O50 1 0.39755700 0.62885400 0.42571100 1.0 O O51 1 0.60244300 0.37114600 0.92571100 1.0 O O52 1 0.10244300 0.12885400 0.82428900 1.0 O O53 1 0.89755700 0.87114600 0.32428900 1.0 O O54 1 0.62885400 0.39755700 0.57428900 1.0 O O55 1 0.37114600 0.60244300 0.07428900 1.0 O O56 1 0.39040700 0.61474100 0.57470500 1.0 O O57 1 0.60959300 0.38525900 0.07470500 1.0 O O58 1 0.11474100 0.10959300 0.32470500 1.0 O O59 1 0.88525900 0.89040700 0.82470500 1.0 O O60 1 0.38525900 0.60959300 0.92529500 1.0 O O61 1 0.61474100 0.39040700 0.42529500 1.0 O O62 1 0.10959300 0.11474100 0.67529500 1.0 O O63 1 0.89040700 0.88525900 0.17529500 1.0 O O64 1 0.99176200 0.01193000 0.57978400 1.0 O O65 1 0.00823800 0.98807000 0.07978400 1.0 O O66 1 0.51193000 0.50823800 0.32978400 1.0 O O67 1 0.48807000 0.49176200 0.82978400 1.0 O O68 1 0.98807000 0.00823800 0.92021600 1.0 O O69 1 0.01193000 0.99176200 0.42021600 1.0 O O70 1 0.50823800 0.51193000 0.67021600 1.0 O O71 1 0.49176200 0.48807000 0.17021600 1.0 O O72 1 0.42513300 0.81274400 0.66675000 1.0 O O73 1 0.57486700 0.18725600 0.16675000 1.0 O O74 1 0.31274400 0.07486700 0.41675000 1.0 O O75 1 0.68725600 0.92513300 0.91675000 1.0 O O76 1 0.18725600 0.57486700 0.83325000 1.0 O O77 1 0.81274400 0.42513300 0.33325000 1.0 O O78 1 0.07486700 0.31274400 0.58325000 1.0 O O79 1 0.92513300 0.68725600 0.08325000 1.0 O O80 1 0.80726600 0.41180700 0.66975800 1.0 O O81 1 0.19273400 0.58819300 0.16975800 1.0 O O82 1 0.91180700 0.69273400 0.41975800 1.0 O O83 1 0.08819300 0.30726600 0.91975800 1.0 O O84 1 0.58819300 0.19273400 0.83024200 1.0 O O85 1 0.41180700 0.80726600 0.33024200 1.0 O O86 1 0.69273400 0.91180700 0.58024200 1.0 O O87 1 0.30726600 0.08819300 0.08024200 1.0 O O88 1 0.20083200 0.59982400 0.66824000 1.0 O O89 1 0.79916800 0.40017600 0.16824000 1.0 O O90 1 0.09982400 0.29916800 0.41824000 1.0 O O91 1 0.90017600 0.70083200 0.91824000 1.0 O O92 1 0.40017600 0.79916800 0.83176000 1.0 O O93 1 0.59982400 0.20083200 0.33176000 1.0 O O94 1 0.29916800 0.09982400 0.58176000 1.0 O O95 1 0.70083200 0.90017600 0.08176000 1.0 O O96 1 0.91964100 0.70334300 0.58528700 1.0 O O97 1 0.08035900 0.29665700 0.08528700 1.0 O O98 1 0.20334300 0.58035900 0.33528700 1.0 O O99 1 0.79665700 0.41964100 0.83528700 1.0 O O100 1 0.29665700 0.08035900 0.91471300 1.0 O O101 1 0.70334300 0.91964100 0.41471300 1.0 O O102 1 0.58035900 0.20334300 0.66471300 1.0 O O103 1 0.41964100 0.79665700 0.16471300 1.0