# generated using pymatgen data_CoPH6O6F _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83367007 _cell_length_b 11.28062536 _cell_length_c 10.41229616 _cell_angle_alpha 96.37804334 _cell_angle_beta 99.36758852 _cell_angle_gamma 90.90338812 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoPH6O6F _chemical_formula_sum 'Co4 P4 H24 O24 F4' _cell_volume 556.37916239 _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 0.00000000 0.50000000 0.00000000 1.0 Co Co1 1 0.50000000 0.00000000 0.50000000 1.0 Co Co2 1 0.00000000 0.00000000 0.00000000 1.0 Co Co3 1 0.50000000 0.50000000 0.50000000 1.0 P P4 1 0.07322400 0.41944900 0.69526300 1.0 P P5 1 0.07361800 0.91994400 0.69579100 1.0 P P6 1 0.92638300 0.08005700 0.30420900 1.0 P P7 1 0.92677500 0.58055100 0.30473700 1.0 H H8 1 0.50885200 0.38552800 0.89678500 1.0 H H9 1 0.50945900 0.88542300 0.89699500 1.0 H H10 1 0.49054000 0.11457700 0.10300500 1.0 H H11 1 0.49114800 0.61447200 0.10321500 1.0 H H12 1 0.73113300 0.28144100 0.91953800 1.0 H H13 1 0.73193000 0.78136300 0.91943300 1.0 H H14 1 0.26807000 0.21863800 0.08056700 1.0 H H15 1 0.26886600 0.71855800 0.08046200 1.0 H H16 1 0.23618000 0.40881100 0.21117200 1.0 H H17 1 0.23580900 0.90899600 0.21077900 1.0 H H18 1 0.76419100 0.09100400 0.78922100 1.0 H H19 1 0.76382000 0.59118900 0.78882800 1.0 H H20 1 0.46144300 0.39912200 0.11517100 1.0 H H21 1 0.46132400 0.89911600 0.11494300 1.0 H H22 1 0.53867600 0.10088400 0.88505700 1.0 H H23 1 0.53855700 0.60087800 0.88482900 1.0 H H24 1 0.64646900 0.26680000 0.40518000 1.0 H H25 1 0.64511900 0.76744300 0.40389600 1.0 H H26 1 0.35488200 0.23255700 0.59610400 1.0 H H27 1 0.35353100 0.73320000 0.59482000 1.0 H H28 1 0.85881500 0.37065800 0.38963500 1.0 H H29 1 0.85835600 0.87092200 0.38808300 1.0 H H30 1 0.14164400 0.12907800 0.61191700 1.0 H H31 1 0.14118500 0.62934200 0.61036500 1.0 O O32 1 0.20464400 0.44473400 0.84081400 1.0 O O33 1 0.20625400 0.94482000 0.84116300 1.0 O O34 1 0.79374600 0.05518000 0.15883700 1.0 O O35 1 0.79535600 0.55526600 0.15918600 1.0 O O36 1 0.28704400 0.38842800 0.60558500 1.0 O O37 1 0.28497900 0.88918900 0.60480100 1.0 O O38 1 0.71502100 0.11081100 0.39519900 1.0 O O39 1 0.71295600 0.61157300 0.39441500 1.0 O O40 1 0.86634700 0.01558200 0.65425900 1.0 O O41 1 0.86690500 0.51519100 0.65267900 1.0 O O42 1 0.13309500 0.48481000 0.34732100 1.0 O O43 1 0.13365300 0.98441800 0.34574100 1.0 O O44 1 0.69038700 0.36479800 0.94984100 1.0 O O45 1 0.69107000 0.86461700 0.94994100 1.0 O O46 1 0.30893000 0.13538300 0.05005900 1.0 O O47 1 0.30961300 0.63520200 0.05015900 1.0 O O48 1 0.26308900 0.38183100 0.11884700 1.0 O O49 1 0.26299200 0.88160600 0.11845900 1.0 O O50 1 0.73700800 0.11839400 0.88154100 1.0 O O51 1 0.73691100 0.61816900 0.88115300 1.0 O O52 1 0.66231600 0.35360400 0.39755300 1.0 O O53 1 0.66185000 0.85424100 0.39622300 1.0 O O54 1 0.33815000 0.14575900 0.60377800 1.0 O O55 1 0.33768400 0.64639700 0.60244800 1.0 F F56 1 0.88905100 0.29893500 0.68582600 1.0 F F57 1 0.88960200 0.79927300 0.68645300 1.0 F F58 1 0.11039900 0.20072700 0.31354700 1.0 F F59 1 0.11094900 0.70106400 0.31417300 1.0