# generated using pymatgen data_Li3CrPCO7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.47643400 _cell_length_b 8.69533774 _cell_length_c 10.01524473 _cell_angle_alpha 94.90562675 _cell_angle_beta 90.26818902 _cell_angle_gamma 90.27026580 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li3CrPCO7 _chemical_formula_sum 'Li12 Cr4 P4 C4 O28' _cell_volume 561.92673557 _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 0.74964000 0.88603300 0.39077800 1.0 Li Li1 1 0.73557700 0.88954500 0.88197200 1.0 Li Li2 1 0.52636200 0.70862700 0.11336000 1.0 Li Li3 1 0.98128400 0.72972200 0.64513900 1.0 Li Li4 1 0.52417000 0.72745700 0.64198400 1.0 Li Li5 1 0.25862300 0.65163400 0.87327000 1.0 Li Li6 1 0.47425200 0.27436900 0.37188000 1.0 Li Li7 1 0.02525600 0.27658300 0.37294700 1.0 Li Li8 1 0.46888700 0.27860700 0.86925800 1.0 Li Li9 1 0.02784400 0.27684500 0.86968000 1.0 Li Li10 1 0.25316000 0.11515300 0.10068800 1.0 Li Li11 1 0.25171200 0.10100900 0.62459900 1.0 Cr Cr12 1 0.03018200 0.75498000 0.11413300 1.0 Cr Cr13 1 0.24799900 0.66595000 0.40672200 1.0 Cr Cr14 1 0.74505300 0.33556800 0.09986500 1.0 Cr Cr15 1 0.75010200 0.33482300 0.60455400 1.0 P P16 1 0.74445000 0.58809700 0.36459000 1.0 P P17 1 0.74898900 0.58916900 0.86382500 1.0 P P18 1 0.24736500 0.41441100 0.13965000 1.0 P P19 1 0.25000300 0.41127300 0.64058200 1.0 C C20 1 0.24122800 0.96960700 0.34888300 1.0 C C21 1 0.24437900 0.96042400 0.85477000 1.0 C C22 1 0.75686500 0.03473500 0.14649300 1.0 C C23 1 0.75084100 0.03302700 0.64691400 1.0 O O24 1 0.25137400 0.95353600 0.47406600 1.0 O O25 1 0.78020600 0.89666700 0.19025800 1.0 O O26 1 0.23933000 0.93276000 0.98006600 1.0 O O27 1 0.23645400 0.83973500 0.26664900 1.0 O O28 1 0.74981400 0.89464800 0.68772800 1.0 O O29 1 0.24580500 0.84942700 0.76015700 1.0 O O30 1 0.93412200 0.68541100 0.42026900 1.0 O O31 1 0.56168400 0.68806800 0.42472000 1.0 O O32 1 0.94211400 0.68318000 0.91994100 1.0 O O33 1 0.56192000 0.68697200 0.91507300 1.0 O O34 1 0.25422300 0.58065900 0.09488600 1.0 O O35 1 0.73600300 0.58041200 0.20937700 1.0 O O36 1 0.25086100 0.57723100 0.59513300 1.0 O O37 1 0.75636200 0.58040000 0.70824700 1.0 O O38 1 0.24953400 0.41843000 0.29466500 1.0 O O39 1 0.74596800 0.42164300 0.40872100 1.0 O O40 1 0.25005200 0.42214900 0.79510700 1.0 O O41 1 0.74624900 0.42200400 0.90802400 1.0 O O42 1 0.05919000 0.31769500 0.08137600 1.0 O O43 1 0.43142000 0.31609300 0.07989100 1.0 O O44 1 0.43590500 0.31267400 0.58327900 1.0 O O45 1 0.06336800 0.31252600 0.58185900 1.0 O O46 1 0.74042000 0.15447300 0.23326600 1.0 O O47 1 0.23951000 0.10130400 0.29915000 1.0 O O48 1 0.75124700 0.15350500 0.73540200 1.0 O O49 1 0.75169300 0.05100100 0.02087700 1.0 O O50 1 0.24975000 0.10494200 0.82375300 1.0 O O51 1 0.75119800 0.05480500 0.52152300 1.0