# generated using pymatgen data_Li2CrP2O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.51516300 _cell_length_b 6.44625524 _cell_length_c 8.97687023 _cell_angle_alpha 110.58169125 _cell_angle_beta 92.70962614 _cell_angle_gamma 106.39633941 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2CrP2O7 _chemical_formula_sum 'Li4 Cr2 P4 O14' _cell_volume 282.78632923 _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 Li Li0 1 0.10346500 0.78737000 0.99126500 1.0 Li Li1 1 0.30703200 0.70509300 0.75911600 1.0 Li Li2 1 0.69296800 0.29490700 0.24088400 1.0 Li Li3 1 0.89653500 0.21263000 0.00873500 1.0 Cr Cr4 1 0.11268500 0.85725500 0.37566800 1.0 Cr Cr5 1 0.88731500 0.14274500 0.62433200 1.0 P P6 1 0.23638500 0.36198600 0.39117000 1.0 P P7 1 0.60346600 0.93275400 0.88555400 1.0 P P8 1 0.39653400 0.06724600 0.11444600 1.0 P P9 1 0.76361500 0.63801400 0.60883000 1.0 O O10 1 0.06972300 0.23645400 0.32443200 1.0 O O11 1 0.05835700 0.46741500 0.41616800 1.0 O O12 1 0.31950600 0.83322600 0.87146400 1.0 O O13 1 0.23655300 0.13759600 0.16316300 1.0 O O14 1 0.26752900 0.19822900 0.95173800 1.0 O O15 1 0.57065500 0.86037600 0.46014100 1.0 O O16 1 0.61643000 0.32065900 0.75567100 1.0 O O17 1 0.38357000 0.67934100 0.24432900 1.0 O O18 1 0.42934500 0.13962400 0.53985900 1.0 O O19 1 0.73247100 0.80177100 0.04826200 1.0 O O20 1 0.76344700 0.86240400 0.83683700 1.0 O O21 1 0.68049400 0.16677400 0.12853600 1.0 O O22 1 0.94164300 0.53258500 0.58383200 1.0 O O23 1 0.93027700 0.76354600 0.67556800 1.0