# generated using pymatgen data_ZnP2(HO3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.56936435 _cell_length_b 12.56936435 _cell_length_c 12.56936406 _cell_angle_alpha 115.62495935 _cell_angle_beta 115.62495935 _cell_angle_gamma 115.62496197 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnP2(HO3)2 _chemical_formula_sum 'Zn6 P12 H12 O36' _cell_volume 1045.35512583 _cell_formula_units_Z 6 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 0.33652700 0.56906100 0.91609300 1.0 Zn Zn1 1 0.91609300 0.33652700 0.56906100 1.0 Zn Zn2 1 0.56906100 0.91609300 0.33652700 1.0 Zn Zn3 1 0.66347300 0.43093900 0.08390700 1.0 Zn Zn4 1 0.08390700 0.66347300 0.43093900 1.0 Zn Zn5 1 0.43093900 0.08390700 0.66347300 1.0 P P6 1 0.99057300 0.19824900 0.73535800 1.0 P P7 1 0.73535800 0.99057300 0.19824900 1.0 P P8 1 0.19824900 0.73535800 0.99057300 1.0 P P9 1 0.00942700 0.80175100 0.26464200 1.0 P P10 1 0.26464200 0.00942700 0.80175100 1.0 P P11 1 0.80175100 0.26464200 0.00942700 1.0 P P12 1 0.55638400 0.60573400 0.22937900 1.0 P P13 1 0.22937900 0.55638400 0.60573400 1.0 P P14 1 0.60573400 0.22937900 0.55638400 1.0 P P15 1 0.44361600 0.39426600 0.77062100 1.0 P P16 1 0.77062100 0.44361600 0.39426600 1.0 P P17 1 0.39426600 0.77062100 0.44361600 1.0 H H18 1 0.05428900 0.26580300 0.89596500 1.0 H H19 1 0.89596500 0.05428900 0.26580300 1.0 H H20 1 0.26580300 0.89596500 0.05428900 1.0 H H21 1 0.94571100 0.73419700 0.10403500 1.0 H H22 1 0.10403500 0.94571100 0.73419700 1.0 H H23 1 0.73419700 0.10403500 0.94571100 1.0 H H24 1 0.66481800 0.72465300 0.41430300 1.0 H H25 1 0.41430300 0.66481800 0.72465300 1.0 H H26 1 0.72465300 0.41430300 0.66481800 1.0 H H27 1 0.33518200 0.27534700 0.58569700 1.0 H H28 1 0.58569700 0.33518200 0.27534700 1.0 H H29 1 0.27534700 0.58569700 0.33518200 1.0 O O30 1 0.06818900 0.35651800 0.76671000 1.0 O O31 1 0.76671000 0.06818900 0.35651800 1.0 O O32 1 0.35651800 0.76671000 0.06818900 1.0 O O33 1 0.93181100 0.64348200 0.23329000 1.0 O O34 1 0.23329000 0.93181100 0.64348200 1.0 O O35 1 0.64348200 0.23329000 0.93181100 1.0 O O36 1 0.49405300 0.67205200 0.17376100 1.0 O O37 1 0.17376100 0.49405300 0.67205200 1.0 O O38 1 0.67205200 0.17376100 0.49405300 1.0 O O39 1 0.50594700 0.32794800 0.82623900 1.0 O O40 1 0.82623900 0.50594700 0.32794800 1.0 O O41 1 0.32794800 0.82623900 0.50594700 1.0 O O42 1 0.57727700 0.78053000 0.03326000 1.0 O O43 1 0.03326000 0.57727700 0.78053000 1.0 O O44 1 0.78053000 0.03326000 0.57727700 1.0 O O45 1 0.42272300 0.21947000 0.96674000 1.0 O O46 1 0.96674000 0.42272300 0.21947000 1.0 O O47 1 0.21947000 0.96674000 0.42272300 1.0 O O48 1 0.33342200 0.39512200 0.79206500 1.0 O O49 1 0.79206500 0.33342200 0.39512200 1.0 O O50 1 0.39512200 0.79206500 0.33342200 1.0 O O51 1 0.66657800 0.60487800 0.20793500 1.0 O O52 1 0.20793500 0.66657800 0.60487800 1.0 O O53 1 0.60487800 0.20793500 0.66657800 1.0 O O54 1 0.03248300 0.10371400 0.67340900 1.0 O O55 1 0.67340900 0.03248300 0.10371400 1.0 O O56 1 0.10371400 0.67340900 0.03248300 1.0 O O57 1 0.96751700 0.89628600 0.32659100 1.0 O O58 1 0.32659100 0.96751700 0.89628600 1.0 O O59 1 0.89628600 0.32659100 0.96751700 1.0 O O60 1 0.38481000 0.41017400 0.11202100 1.0 O O61 1 0.11202100 0.38481000 0.41017400 1.0 O O62 1 0.41017400 0.11202100 0.38481000 1.0 O O63 1 0.61519000 0.58982600 0.88797900 1.0 O O64 1 0.88797900 0.61519000 0.58982600 1.0 O O65 1 0.58982600 0.88797900 0.61519000 1.0