# generated using pymatgen data_LiCoP2O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.38736300 _cell_length_b 9.21250746 _cell_length_c 10.57256017 _cell_angle_alpha 114.72644145 _cell_angle_beta 86.06022013 _cell_angle_gamma 107.12389075 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCoP2O7 _chemical_formula_sum 'Li4 Co4 P8 O28' _cell_volume 538.97444916 _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 0.01342400 0.18015900 0.48722200 1.0 Li Li1 1 0.33948400 0.11477200 0.41335600 1.0 Li Li2 1 0.55933300 0.54396200 0.98295400 1.0 Li Li3 1 0.93470300 0.04038200 0.94501300 1.0 Co Co4 1 0.28750200 0.35422400 0.77101700 1.0 Co Co5 1 0.36854800 0.00568100 0.74455600 1.0 Co Co6 1 0.63466700 0.98877400 0.25259200 1.0 Co Co7 1 0.71773300 0.66849000 0.21373400 1.0 P P8 1 0.10877300 0.83959700 0.29702600 1.0 P P9 1 0.31108000 0.72893200 0.03843400 1.0 P P10 1 0.08194800 0.60579200 0.78808700 1.0 P P11 1 0.41184900 0.62441000 0.53222400 1.0 P P12 1 0.57745400 0.37854700 0.45993000 1.0 P P13 1 0.92696700 0.42151400 0.19697600 1.0 P P14 1 0.69667700 0.28807700 0.95155200 1.0 P P15 1 0.88558400 0.14283800 0.70161900 1.0 O O16 1 0.04745800 0.24275500 0.33876200 1.0 O O17 1 0.08395600 0.54345400 0.08664400 1.0 O O18 1 0.04933900 0.04454300 0.70663300 1.0 O O19 1 0.99797300 0.67694900 0.29008700 1.0 O O20 1 0.26067900 0.97487400 0.96445300 1.0 O O21 1 0.19444400 0.62036700 0.45867400 1.0 O O22 1 0.35643300 0.73336200 0.55831300 1.0 O O23 1 0.44712100 0.56823700 0.17812100 1.0 O O24 1 0.31160400 0.02284800 0.21282000 1.0 O O25 1 0.11564200 0.37461400 0.84216400 1.0 O O26 1 0.40996200 0.77144100 0.94786500 1.0 O O27 1 0.29833600 0.69618600 0.81616400 1.0 O O28 1 0.43087500 0.33085600 0.68005000 1.0 O O29 1 0.37260700 0.24028100 0.54052500 1.0 O O30 1 0.60196500 0.76750000 0.44327200 1.0 O O31 1 0.56671300 0.67164900 0.31176400 1.0 O O32 1 0.71859500 0.30804100 0.18183000 1.0 O O33 1 0.60892400 0.25157000 0.04200400 1.0 O O34 1 0.69048900 0.94196400 0.79208700 1.0 O O35 1 0.87319100 0.66212000 0.12936900 1.0 O O36 1 0.55356300 0.43282200 0.81717700 1.0 O O37 1 0.78008400 0.37309500 0.54242500 1.0 O O38 1 0.63304500 0.26669900 0.43518700 1.0 O O39 1 0.74718000 0.03975400 0.02615400 1.0 O O40 1 0.99218000 0.27061200 0.72981500 1.0 O O41 1 0.94568000 0.97617700 0.26662500 1.0 O O42 1 0.92322600 0.47377900 0.90048900 1.0 O O43 1 0.98594600 0.81973400 0.64247000 1.0