# generated using pymatgen data_CoP2O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.85793400 _cell_length_b 7.08986700 _cell_length_c 9.09617546 _cell_angle_alpha 69.78996570 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoP2O7 _chemical_formula_sum 'Co4 P8 O28' _cell_volume 475.56332019 _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 0.49322500 0.26816100 0.25273700 1.0 Co Co1 1 0.99322500 0.73183900 0.24726300 1.0 Co Co2 1 0.00677500 0.26816100 0.75273700 1.0 Co Co3 1 0.50677500 0.73183900 0.74726300 1.0 P P4 1 0.26270000 0.07531500 0.55747700 1.0 P P5 1 0.69909200 0.32765800 0.94382400 1.0 P P6 1 0.19909200 0.67234200 0.55617600 1.0 P P7 1 0.76270000 0.92468500 0.94252300 1.0 P P8 1 0.80090800 0.32765800 0.44382400 1.0 P P9 1 0.30090800 0.67234200 0.05617600 1.0 P P10 1 0.73730000 0.92468500 0.44252300 1.0 P P11 1 0.23730000 0.07531500 0.05747700 1.0 O O12 1 0.31897500 0.67199300 0.88735200 1.0 O O13 1 0.91685500 0.00201900 0.83317200 1.0 O O14 1 0.30564800 0.18216000 0.38279900 1.0 O O15 1 0.19435200 0.18216000 0.88279900 1.0 O O16 1 0.68102500 0.32800700 0.11264800 1.0 O O17 1 0.35623300 0.88834700 0.06314000 1.0 O O18 1 0.14848700 0.22483600 0.59654300 1.0 O O19 1 0.69435200 0.81784000 0.61720100 1.0 O O20 1 0.57759900 0.46487500 0.82083700 1.0 O O21 1 0.61014900 0.35132700 0.40572300 1.0 O O22 1 0.07759900 0.53512500 0.67916300 1.0 O O23 1 0.85623300 0.11165300 0.43686000 1.0 O O24 1 0.92240100 0.46487500 0.32083700 1.0 O O25 1 0.80564800 0.81784000 0.11720100 1.0 O O26 1 0.11014900 0.64867300 0.09427700 1.0 O O27 1 0.64848700 0.77516400 0.90345700 1.0 O O28 1 0.81897500 0.32800700 0.61264800 1.0 O O29 1 0.64376700 0.11165300 0.93686000 1.0 O O30 1 0.18102500 0.67199300 0.38735200 1.0 O O31 1 0.38985100 0.64867300 0.59427700 1.0 O O32 1 0.08314500 0.99798100 0.16682800 1.0 O O33 1 0.41685500 0.99798100 0.66682800 1.0 O O34 1 0.88985100 0.35132700 0.90572300 1.0 O O35 1 0.14376700 0.88834700 0.56314000 1.0 O O36 1 0.35151300 0.22483600 0.09654300 1.0 O O37 1 0.42240100 0.53512500 0.17916300 1.0 O O38 1 0.85151300 0.77516400 0.40345700 1.0 O O39 1 0.58314500 0.00201900 0.33317200 1.0