# generated using pymatgen data_CoP2O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.47340900 _cell_length_b 9.70865984 _cell_length_c 10.64187758 _cell_angle_alpha 116.58942851 _cell_angle_beta 84.56466396 _cell_angle_gamma 107.09773709 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoP2O7 _chemical_formula_sum 'Co4 P8 O28' _cell_volume 571.12056051 _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 0.72424100 0.87156400 0.22051700 1.0 Co Co1 1 0.62453900 0.24677800 0.24566100 1.0 Co Co2 1 0.27575900 0.12843600 0.77948300 1.0 Co Co3 1 0.37546100 0.75322200 0.75433900 1.0 P P4 1 0.88895200 0.85067400 0.69748500 1.0 P P5 1 0.07884200 0.39086200 0.79141800 1.0 P P6 1 0.11104800 0.14932600 0.30251500 1.0 P P7 1 0.92115800 0.60913800 0.20858200 1.0 P P8 1 0.69726800 0.22268400 0.96437400 1.0 P P9 1 0.58218900 0.85356500 0.45636500 1.0 P P10 1 0.41781100 0.14643500 0.54363500 1.0 P P11 1 0.30273200 0.77731600 0.03562600 1.0 O O12 1 0.36352700 0.25936400 0.58409100 1.0 O O13 1 0.99961500 0.00460500 0.71371200 1.0 O O14 1 0.05227300 0.75518400 0.71866600 1.0 O O15 1 0.11897500 0.22921300 0.82517100 1.0 O O16 1 0.38263700 0.72113700 0.93601800 1.0 O O17 1 0.92452200 0.35195700 0.91338000 1.0 O O18 1 0.27862600 0.51491000 0.80174400 1.0 O O19 1 0.96139000 0.44795400 0.64662300 1.0 O O20 1 0.88102500 0.77078700 0.17482900 1.0 O O21 1 0.72137400 0.48509000 0.19825600 1.0 O O22 1 0.69373500 0.74994100 0.78930600 1.0 O O23 1 0.25793400 0.93825300 0.94967300 1.0 O O24 1 0.61736300 0.27886300 0.06398200 1.0 O O25 1 0.44682400 0.75905900 0.16204700 1.0 O O26 1 0.79829900 0.91221800 0.53641000 1.0 O O27 1 0.94772700 0.24481600 0.28133400 1.0 O O28 1 0.00038500 0.99539500 0.28628800 1.0 O O29 1 0.20170100 0.08778200 0.46359000 1.0 O O30 1 0.63647300 0.74063600 0.41590900 1.0 O O31 1 0.59695800 0.21246500 0.43683200 1.0 O O32 1 0.55435200 0.99798000 0.31639200 1.0 O O33 1 0.03583900 0.54297900 0.34957500 1.0 O O34 1 0.30626500 0.25005900 0.21069400 1.0 O O35 1 0.44564800 0.00202000 0.68360800 1.0 O O36 1 0.07547800 0.64804300 0.08662000 1.0 O O37 1 0.74206600 0.06174700 0.05032700 1.0 O O38 1 0.40304200 0.78753500 0.56316800 1.0 O O39 1 0.55569500 0.23406100 0.83307700 1.0