# generated using pymatgen data_Co3P2O9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.94923800 _cell_length_b 9.38631600 _cell_length_c 9.56380956 _cell_angle_alpha 64.53888368 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co3P2O9 _chemical_formula_sum 'Co12 P8 O36' _cell_volume 644.28837745 _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 Co Co0 1 0.59346800 0.03503700 0.23538500 1.0 Co Co1 1 0.09346800 0.46496300 0.76461500 1.0 Co Co2 1 0.40653200 0.96496300 0.76461500 1.0 Co Co3 1 0.90653200 0.53503700 0.23538500 1.0 Co Co4 1 0.60671700 0.40624800 0.10950200 1.0 Co Co5 1 0.10671700 0.09375200 0.89049800 1.0 Co Co6 1 0.39328300 0.59375200 0.89049800 1.0 Co Co7 1 0.89328300 0.90624800 0.10950200 1.0 Co Co8 1 0.68338700 0.46598200 0.58172000 1.0 Co Co9 1 0.18338700 0.03401800 0.41828000 1.0 Co Co10 1 0.31661300 0.53401800 0.41828000 1.0 Co Co11 1 0.81661300 0.96598200 0.58172000 1.0 P P12 1 0.96243900 0.23232600 0.12396800 1.0 P P13 1 0.46243900 0.26767400 0.87603200 1.0 P P14 1 0.03756100 0.76767400 0.87603200 1.0 P P15 1 0.53756100 0.73232600 0.12396800 1.0 P P16 1 0.51212100 0.20350500 0.48490100 1.0 P P17 1 0.01212100 0.29649500 0.51509900 1.0 P P18 1 0.48787900 0.79649500 0.51509900 1.0 P P19 1 0.98787900 0.70350500 0.48490100 1.0 O O20 1 0.86487300 0.36659000 0.14534300 1.0 O O21 1 0.36487300 0.13341000 0.85465700 1.0 O O22 1 0.13512700 0.63341000 0.85465700 1.0 O O23 1 0.63512700 0.86659000 0.14534300 1.0 O O24 1 0.62692500 0.31173200 0.78294000 1.0 O O25 1 0.12692500 0.18826800 0.21706000 1.0 O O26 1 0.37307500 0.68826800 0.21706000 1.0 O O27 1 0.87307500 0.81173200 0.78294000 1.0 O O28 1 0.50838900 0.21647000 0.04895600 1.0 O O29 1 0.00838900 0.28353000 0.95104400 1.0 O O30 1 0.49161100 0.78353000 0.95104400 1.0 O O31 1 0.99161100 0.71647000 0.04895600 1.0 O O32 1 0.84245900 0.08509700 0.18065700 1.0 O O33 1 0.34245900 0.41490300 0.81934300 1.0 O O34 1 0.15754100 0.91490300 0.81934300 1.0 O O35 1 0.65754100 0.58509700 0.18065700 1.0 O O36 1 0.83821800 0.38315500 0.46959600 1.0 O O37 1 0.33821800 0.11684500 0.53040400 1.0 O O38 1 0.16178200 0.61684500 0.53040400 1.0 O O39 1 0.66178200 0.88315500 0.46959600 1.0 O O40 1 0.57412600 0.22295900 0.32429400 1.0 O O41 1 0.07412600 0.27704100 0.67570600 1.0 O O42 1 0.42587400 0.77704100 0.67570600 1.0 O O43 1 0.92587400 0.72295900 0.32429400 1.0 O O44 1 0.49213800 0.36613500 0.49002600 1.0 O O45 1 0.99213800 0.13386500 0.50997400 1.0 O O46 1 0.50786200 0.63386500 0.50997400 1.0 O O47 1 0.00786200 0.86613500 0.49002600 1.0 O O48 1 0.62816600 0.09095300 0.61866800 1.0 O O49 1 0.12816600 0.40904700 0.38133200 1.0 O O50 1 0.37183400 0.90904700 0.38133200 1.0 O O51 1 0.87183400 0.59095300 0.61866800 1.0 O O52 1 0.87145600 0.03142100 0.91395300 1.0 O O53 1 0.37145600 0.46857900 0.08604700 1.0 O O54 1 0.12854400 0.96857900 0.08604700 1.0 O O55 1 0.62854400 0.53142100 0.91395300 1.0