# generated using pymatgen data_Li3CrPCO7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97818500 _cell_length_b 8.66316466 _cell_length_c 12.94479046 _cell_angle_alpha 90.16657614 _cell_angle_beta 90.19912472 _cell_angle_gamma 94.65733296 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li3CrPCO7 _chemical_formula_sum 'Li12 Cr4 P4 C4 O28' _cell_volume 556.41832143 _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 0.23222700 0.11114500 0.12730400 1.0 Li Li1 1 0.22793700 0.11172100 0.63101700 1.0 Li Li2 1 0.74377200 0.27459000 0.51756900 1.0 Li Li3 1 0.73625600 0.27698700 0.24243500 1.0 Li Li4 1 0.76114200 0.28085900 0.73396200 1.0 Li Li5 1 0.22789900 0.35540800 0.86840200 1.0 Li Li6 1 0.24847300 0.71836200 0.98093500 1.0 Li Li7 1 0.25456000 0.72493200 0.26720300 1.0 Li Li8 1 0.26183800 0.72854200 0.49030700 1.0 Li Li9 1 0.25749800 0.72179500 0.76222800 1.0 Li Li10 1 0.77023400 0.89223200 0.37915200 1.0 Li Li11 1 0.77059700 0.89081900 0.86815500 1.0 Cr Cr12 1 0.75845000 0.25036100 0.98713200 1.0 Cr Cr13 1 0.20379700 0.33324800 0.37583200 1.0 Cr Cr14 1 0.79177800 0.66490900 0.12629700 1.0 Cr Cr15 1 0.79654000 0.66487300 0.62517600 1.0 P P16 1 0.26903200 0.41233000 0.12641200 1.0 P P17 1 0.27643800 0.40927200 0.62706200 1.0 P P18 1 0.72240900 0.58903900 0.37563700 1.0 P P19 1 0.71737900 0.58459700 0.87496300 1.0 C C20 1 0.29590400 0.03150500 0.37306700 1.0 C C21 1 0.29061500 0.03676800 0.88135000 1.0 C C22 1 0.70512200 0.96726300 0.62573000 1.0 C C23 1 0.70950300 0.96650300 0.12133600 1.0 O O24 1 0.03876600 0.05951100 0.88198600 1.0 O O25 1 0.04398100 0.05445000 0.37305500 1.0 O O26 1 0.62688600 0.10743400 0.11313800 1.0 O O27 1 0.62143300 0.10554100 0.62632900 1.0 O O28 1 0.47403400 0.15195600 0.37026900 1.0 O O29 1 0.47029000 0.15589100 0.88385000 1.0 O O30 1 0.16192000 0.31235800 0.53177200 1.0 O O31 1 0.15847100 0.31699400 0.03107400 1.0 O O32 1 0.15370200 0.31190800 0.21894300 1.0 O O33 1 0.16707500 0.31190600 0.71947400 1.0 O O34 1 0.81256000 0.42243500 0.37555600 1.0 O O35 1 0.81722700 0.41947000 0.87219300 1.0 O O36 1 0.58987300 0.41911500 0.62457100 1.0 O O37 1 0.58123700 0.41909700 0.12922800 1.0 O O38 1 0.41043000 0.58113300 0.37554900 1.0 O O39 1 0.40655600 0.57466800 0.87441900 1.0 O O40 1 0.18191700 0.57974700 0.12741800 1.0 O O41 1 0.18671300 0.57706500 0.62625500 1.0 O O42 1 0.83876900 0.68825400 0.46869900 1.0 O O43 1 0.83692100 0.68783000 0.28267800 1.0 O O44 1 0.83278100 0.68505200 0.78276600 1.0 O O45 1 0.83157400 0.68286500 0.96895700 1.0 O O46 1 0.53075800 0.84966200 0.12818800 1.0 O O47 1 0.52931900 0.84550300 0.62417200 1.0 O O48 1 0.37710000 0.89265200 0.37575300 1.0 O O49 1 0.37105900 0.89692000 0.87587800 1.0 O O50 1 0.96141600 0.94671600 0.12213000 1.0 O O51 1 0.95782900 0.94580600 0.62703700 1.0