# generated using pymatgen data_CoP2O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.47340857 _cell_length_b 10.64187736 _cell_length_c 9.70866009 _cell_angle_alpha 63.41057121 _cell_angle_beta 107.09773432 _cell_angle_gamma 95.43533410 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoP2O7 _chemical_formula_sum 'Co4 P8 O28' _cell_volume 571.12053212 _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 0.72424143 0.77948264 0.09208131 1.0 Co Co1 1 0.62453884 0.75433903 0.49243904 1.0 Co Co2 1 0.27618342 0.22403869 0.89867358 1.0 Co Co3 1 0.37224766 0.25149675 0.49764595 1.0 P P4 1 0.88895219 0.30251469 0.54815940 1.0 P P5 1 0.07884215 0.20858166 0.18228075 1.0 P P6 1 0.10799592 0.70291254 0.44283685 1.0 P P7 1 0.92055628 0.79583418 0.80742406 1.0 P P8 1 0.69726756 0.03562575 0.18705826 1.0 P P9 1 0.58218948 0.54363454 0.30993026 1.0 P P10 1 0.41480205 0.46191701 0.68161576 1.0 P P11 1 0.30332087 0.96871338 0.80268917 1.0 O O12 1 0.36352703 0.41590851 0.84345532 1.0 O O13 1 -0.00038496 0.28628788 0.71831755 1.0 O O14 1 0.05227293 0.28133387 0.47384989 1.0 O O15 1 0.11897506 0.17482877 0.05438406 1.0 O O16 1 0.38263706 0.06398227 0.65715430 1.0 O O17 1 0.92452154 0.08662028 0.26533673 1.0 O O18 1 0.27862631 0.19825645 0.31665330 1.0 O O19 1 0.96139020 0.35337728 0.09457716 1.0 O O20 1 0.88397402 0.82749110 0.93783891 1.0 O O21 1 0.71964243 0.80887740 0.67261459 1.0 O O22 1 0.69373547 0.21069386 0.53924696 1.0 O O23 1 0.25793416 0.05032729 0.88792611 1.0 O O24 1 0.61498750 0.94164944 0.33141344 1.0 O O25 1 0.44682442 0.83795326 0.92110540 1.0 O O26 1 0.79829891 0.46358972 0.44862860 1.0 O O27 1 0.94434530 0.72567775 0.51583754 1.0 O O28 1 0.99810577 0.71747486 0.27323426 1.0 O O29 1 0.19803477 0.54190258 0.54408598 1.0 O O30 1 0.63456692 0.58823542 0.14870460 1.0 O O31 1 0.59695812 0.56316783 0.64929708 1.0 O O32 1 0.55435213 0.68360780 0.31437198 1.0 O O33 1 0.03583914 0.65042534 0.89255321 1.0 O O34 1 0.30372033 0.79426345 0.45152453 1.0 O O35 1 0.44222870 0.32212185 0.67639155 1.0 O O36 1 0.07598607 0.91736133 0.72531578 1.0 O O37 1 0.74350285 0.95304835 0.10309259 1.0 O O38 1 0.39948383 0.44276340 0.34179602 1.0 O O39 1 0.55569514 0.16692279 0.06713815 1.0