# generated using pymatgen data_LiCoP2O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.88939400 _cell_length_b 7.20203000 _cell_length_c 9.51543169 _cell_angle_alpha 69.44286877 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCoP2O7 _chemical_formula_sum 'Li4 Co4 P8 O28' _cell_volume 506.23543055 _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 0.97839600 0.69866100 0.78558200 1.0 Li Li1 1 0.52160400 0.69866100 0.28558200 1.0 Li Li2 1 0.02160400 0.30133900 0.21441800 1.0 Li Li3 1 0.47839600 0.30133900 0.71441800 1.0 Co Co4 1 0.99233200 0.73750100 0.24855500 1.0 Co Co5 1 0.49233200 0.26249900 0.25144500 1.0 Co Co6 1 0.00766800 0.26249900 0.75144500 1.0 Co Co7 1 0.50766800 0.73750100 0.74855500 1.0 P P8 1 0.71043600 0.33035500 0.95286800 1.0 P P9 1 0.28956400 0.66964500 0.04713200 1.0 P P10 1 0.23996300 0.08222900 0.04498000 1.0 P P11 1 0.26003700 0.08222900 0.54498000 1.0 P P12 1 0.21043600 0.66964500 0.54713200 1.0 P P13 1 0.76003700 0.91777100 0.95502000 1.0 P P14 1 0.73996300 0.91777100 0.45502000 1.0 P P15 1 0.78956400 0.33035500 0.45286800 1.0 O O16 1 0.10692100 0.61848700 0.10456700 1.0 O O17 1 0.20068000 0.68847600 0.38217300 1.0 O O18 1 0.21144700 0.18934900 0.87576100 1.0 O O19 1 0.28855300 0.18934900 0.37576100 1.0 O O20 1 0.79932000 0.31152400 0.61782700 1.0 O O21 1 0.86423500 0.79975900 0.40036600 1.0 O O22 1 0.34010000 0.87958100 0.06337200 1.0 O O23 1 0.92348100 0.45743600 0.34548400 1.0 O O24 1 0.84010000 0.12041900 0.43662800 1.0 O O25 1 0.42348100 0.54256400 0.15451600 1.0 O O26 1 0.39307900 0.61848700 0.60456700 1.0 O O27 1 0.71144700 0.81065100 0.62423900 1.0 O O28 1 0.65990000 0.12041900 0.93662800 1.0 O O29 1 0.13576500 0.20024100 0.59963400 1.0 O O30 1 0.70068000 0.31152400 0.11782700 1.0 O O31 1 0.42191500 0.02787600 0.64049400 1.0 O O32 1 0.89307900 0.38151300 0.89543300 1.0 O O33 1 0.92191500 0.97212400 0.85950600 1.0 O O34 1 0.29932000 0.68847600 0.88217300 1.0 O O35 1 0.15990000 0.87958100 0.56337200 1.0 O O36 1 0.36423500 0.20024100 0.09963400 1.0 O O37 1 0.60692100 0.38151300 0.39543300 1.0 O O38 1 0.07651900 0.54256400 0.65451600 1.0 O O39 1 0.57651900 0.45743600 0.84548400 1.0 O O40 1 0.57808500 0.97212400 0.35950600 1.0 O O41 1 0.07808500 0.02787600 0.14049400 1.0 O O42 1 0.78855300 0.81065100 0.12423900 1.0 O O43 1 0.63576500 0.79975900 0.90036600 1.0