# generated using pymatgen data_Co3(P2O7)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.66055760 _cell_length_b 13.47093943 _cell_length_c 7.28617940 _cell_angle_alpha 83.98761655 _cell_angle_beta 89.46375382 _cell_angle_gamma 82.59071880 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co3(P2O7)2 _chemical_formula_sum 'Co6 P8 O28' _cell_volume 547.91870999 _cell_formula_units_Z 2 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 0.99810800 0.99855400 0.00317000 1.0 Co Co1 1 0.90169700 0.74039800 0.33045500 1.0 Co Co2 1 0.09375400 0.25835500 0.67031100 1.0 Co Co3 1 0.50237100 0.50080600 0.00171900 1.0 Co Co4 1 0.39941300 0.23964900 0.32601800 1.0 Co Co5 1 0.58511600 0.75845700 0.67788200 1.0 P P6 1 0.57674600 0.34590700 0.68520200 1.0 P P7 1 0.07669400 0.84602300 0.68134100 1.0 P P8 1 0.92028000 0.15554300 0.31967000 1.0 P P9 1 0.42338500 0.65489500 0.32096800 1.0 P P10 1 0.00143700 0.34527900 0.07088500 1.0 P P11 1 0.50009600 0.84602400 0.07647100 1.0 P P12 1 0.49895700 0.15369800 0.92154900 1.0 P P13 1 0.00060000 0.65365300 0.92296700 1.0 O O14 1 0.80913400 0.43146800 0.08911100 1.0 O O15 1 0.30334800 0.93044500 0.09526000 1.0 O O16 1 0.69846000 0.06977600 0.90496300 1.0 O O17 1 0.19840700 0.56854300 0.90918400 1.0 O O18 1 0.22201600 0.35289100 0.19320400 1.0 O O19 1 0.72206700 0.85418200 0.19545600 1.0 O O20 1 0.28729200 0.14698200 0.78999600 1.0 O O21 1 0.78645900 0.64547100 0.79670300 1.0 O O22 1 0.89421100 0.24328100 0.15115200 1.0 O O23 1 0.39689200 0.74271600 0.15235700 1.0 O O24 1 0.60509200 0.25779500 0.85351500 1.0 O O25 1 0.11037900 0.75609300 0.84803600 1.0 O O26 1 0.37103300 0.32069400 0.56053700 1.0 O O27 1 0.87410000 0.82255500 0.55631000 1.0 O O28 1 0.12216600 0.18247200 0.44852500 1.0 O O29 1 0.62445400 0.68121200 0.44943300 1.0 O O30 1 0.81091900 0.33130400 0.57334900 1.0 O O31 1 0.31237400 0.83390100 0.56931600 1.0 O O32 1 0.68297300 0.16805500 0.42497000 1.0 O O33 1 0.18619400 0.66749200 0.42659500 1.0 O O34 1 0.08438900 0.33246000 0.87384700 1.0 O O35 1 0.58071300 0.83483000 0.87723800 1.0 O O36 1 0.40970300 0.16229700 0.11811300 1.0 O O37 1 0.91417700 0.66474800 0.11959300 1.0 O O38 1 0.97700300 0.05625400 0.24445700 1.0 O O39 1 0.47867100 0.55563200 0.24456300 1.0 O O40 1 0.52826400 0.44525000 0.76161600 1.0 O O41 1 0.03045900 0.94396100 0.76398900 1.0