# generated using pymatgen data_LiCoP2O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.23604000 _cell_length_b 9.05089108 _cell_length_c 10.34382778 _cell_angle_alpha 115.29976443 _cell_angle_beta 85.41169667 _cell_angle_gamma 106.64718184 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCoP2O7 _chemical_formula_sum 'Li4 Co4 P8 O28' _cell_volume 505.09570024 _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 Li Li0 1 0.53515000 0.53433700 0.98170500 1.0 Li Li1 1 0.35800000 0.16076200 0.38216500 1.0 Li Li2 1 0.02504200 0.19660800 0.48850200 1.0 Li Li3 1 0.93456600 0.78945300 0.52734900 1.0 Co Co4 1 0.70962700 0.65500800 0.22230000 1.0 Co Co5 1 0.62681900 0.98866400 0.24610000 1.0 Co Co6 1 0.29282600 0.34880300 0.77370600 1.0 Co Co7 1 0.37301500 0.01743700 0.74645900 1.0 P P8 1 0.29937600 0.73595300 0.03591200 1.0 P P9 1 0.41573600 0.62489900 0.53342300 1.0 P P10 1 0.70410500 0.26873600 0.95650400 1.0 P P11 1 0.89284200 0.15680400 0.70227100 1.0 P P12 1 0.10386200 0.60949600 0.78815700 1.0 P P13 1 0.90633300 0.39132100 0.20741800 1.0 P P14 1 0.10704800 0.84505800 0.29240300 1.0 P P15 1 0.57889300 0.38236600 0.45970800 1.0 O O16 1 0.63572600 0.27949200 0.42678000 1.0 O O17 1 0.31651500 0.71409000 0.81124700 1.0 O O18 1 0.62297500 0.76775500 0.44731800 1.0 O O19 1 0.56062700 0.68089400 0.30419600 1.0 O O20 1 0.31371500 0.04175100 0.20546200 1.0 O O21 1 0.05501400 0.03372600 0.71852600 1.0 O O22 1 0.43757400 0.32736800 0.68825700 1.0 O O23 1 0.15469200 0.37655700 0.84695900 1.0 O O24 1 0.94459400 0.97498400 0.27078200 1.0 O O25 1 0.02883500 0.18154300 0.35437400 1.0 O O26 1 0.37248500 0.23881100 0.54563200 1.0 O O27 1 0.99651800 0.32258500 0.70812900 1.0 O O28 1 0.93437500 0.46461100 0.90376000 1.0 O O29 1 0.06586800 0.54565800 0.08535400 1.0 O O30 1 0.35290300 0.73598500 0.55944400 1.0 O O31 1 0.68885300 0.28731300 0.18643700 1.0 O O32 1 0.20691900 0.61763600 0.45815300 1.0 O O33 1 0.60754900 0.23921000 0.04643600 1.0 O O34 1 0.00033400 0.67140400 0.29131300 1.0 O O35 1 0.75193800 0.01262200 0.03767500 1.0 O O36 1 0.42923500 0.56316300 0.18147800 1.0 O O37 1 0.99934100 0.81955400 0.63754800 1.0 O O38 1 0.68662500 0.95728900 0.78993700 1.0 O O39 1 0.57249600 0.43108900 0.81403200 1.0 O O40 1 0.78968100 0.38233300 0.53656100 1.0 O O41 1 0.85615400 0.61263900 0.15819500 1.0 O O42 1 0.25690300 0.98827100 0.95941000 1.0 O O43 1 0.39868500 0.76933000 0.94565800 1.0