# generated using pymatgen data_Fe7P12WO48 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.79029400 _cell_length_b 8.79641600 _cell_length_c 12.24194060 _cell_angle_alpha 89.86247151 _cell_angle_beta 89.85462081 _cell_angle_gamma 89.94536444 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe7P12WO48 _chemical_formula_sum 'Fe7 P12 W1 O48' _cell_volume 946.57838774 _cell_formula_units_Z 1 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 Fe Fe0 1 0.03579100 0.25018300 0.61868100 1.0 Fe Fe1 1 0.46591300 0.25068400 0.38311400 1.0 Fe Fe2 1 0.96397500 0.24953300 0.11935700 1.0 Fe Fe3 1 0.53483400 0.24914400 0.88094900 1.0 Fe Fe4 1 0.46281200 0.75151600 0.11895300 1.0 Fe Fe5 1 0.03600200 0.75180300 0.88069200 1.0 Fe Fe6 1 0.96465500 0.74956400 0.38105000 1.0 P P7 1 0.75419200 0.03529700 0.49883300 1.0 P P8 1 0.60651100 0.10684400 0.14505500 1.0 P P9 1 0.89395100 0.10886600 0.85556600 1.0 P P10 1 0.39345100 0.38906000 0.64474000 1.0 P P11 1 0.10625600 0.39195200 0.35535600 1.0 P P12 1 0.24948400 0.46738600 0.00132600 1.0 P P13 1 0.74928800 0.53395500 0.00152500 1.0 P P14 1 0.60760200 0.60712700 0.35222000 1.0 P P15 1 0.89508800 0.60647500 0.64377300 1.0 P P16 1 0.39048100 0.89345300 0.85660700 1.0 P P17 1 0.10568700 0.89120000 0.14506800 1.0 P P18 1 0.24864400 0.96644700 0.49718400 1.0 W W19 1 0.53461000 0.74929100 0.61598100 1.0 O O20 1 0.34918700 0.06294800 0.42289600 1.0 O O21 1 0.15810900 0.06243000 0.57858200 1.0 O O22 1 0.09196700 0.06562900 0.14810900 1.0 O O23 1 0.40932300 0.06471700 0.85273000 1.0 O O24 1 0.85036900 0.12821800 0.57770200 1.0 O O25 1 0.65287700 0.14049900 0.43200200 1.0 O O26 1 0.55725200 0.17019000 0.03387000 1.0 O O27 1 0.94228900 0.16935200 0.96790100 1.0 O O28 1 0.77279000 0.14933300 0.16787200 1.0 O O29 1 0.72722600 0.15154600 0.83343700 1.0 O O30 1 0.50067100 0.17456700 0.23207300 1.0 O O31 1 0.00179100 0.18067100 0.77087400 1.0 O O32 1 0.00030400 0.32045200 0.27008800 1.0 O O33 1 0.49793200 0.32138800 0.73076500 1.0 O O34 1 0.22393900 0.36063200 0.66562900 1.0 O O35 1 0.27363000 0.34941400 0.33312900 1.0 O O36 1 0.44188300 0.33522400 0.53128900 1.0 O O37 1 0.05668000 0.33188700 0.46809100 1.0 O O38 1 0.15101300 0.36197100 0.07209700 1.0 O O39 1 0.35182600 0.36749000 0.92960800 1.0 O O40 1 0.90037500 0.43301600 0.64936800 1.0 O O41 1 0.59018400 0.43496700 0.34772200 1.0 O O42 1 0.84943600 0.43626900 0.07668500 1.0 O O43 1 0.65298900 0.43646400 0.92394500 1.0 O O44 1 0.34470500 0.56566200 0.07907800 1.0 O O45 1 0.15068700 0.56473500 0.92501900 1.0 O O46 1 0.41869600 0.56885500 0.65001400 1.0 O O47 1 0.09162200 0.56552900 0.34892700 1.0 O O48 1 0.64770000 0.63154300 0.07506600 1.0 O O49 1 0.84695100 0.63969300 0.93047700 1.0 O O50 1 0.93972100 0.66686400 0.53211700 1.0 O O51 1 0.56433000 0.66449900 0.47205700 1.0 O O52 1 0.77305000 0.65056900 0.33154800 1.0 O O53 1 0.72218100 0.65518000 0.66528500 1.0 O O54 1 0.49685000 0.68609000 0.27448000 1.0 O O55 1 0.99492600 0.67735000 0.73147200 1.0 O O56 1 0.99854300 0.82128000 0.22982200 1.0 O O57 1 0.49626400 0.82515400 0.76093000 1.0 O O58 1 0.27238900 0.85118800 0.16782600 1.0 O O59 1 0.22724500 0.84902900 0.82947000 1.0 O O60 1 0.44536900 0.82454200 0.96340000 1.0 O O61 1 0.05885500 0.83203300 0.03201200 1.0 O O62 1 0.35526700 0.85712000 0.56672000 1.0 O O63 1 0.14911600 0.86180100 0.42918200 1.0 O O64 1 0.90797700 0.93508500 0.85238600 1.0 O O65 1 0.59375200 0.93310100 0.14581100 1.0 O O66 1 0.84856400 0.93731500 0.42192200 1.0 O O67 1 0.65196700 0.92673400 0.57248700 1.0