# generated using pymatgen data_Li3CrH12(CO3)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.42754700 _cell_length_b 12.02556137 _cell_length_c 8.12267404 _cell_angle_alpha 104.51166416 _cell_angle_beta 109.44382488 _cell_angle_gamma 92.01573709 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li3CrH12(CO3)6 _chemical_formula_sum 'Li6 Cr2 H24 C12 O36' _cell_volume 833.53397490 _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 0.11192900 0.98495900 0.06961500 1.0 Li Li1 1 0.40394400 0.03712100 0.10418400 1.0 Li Li2 1 0.07393900 0.42977200 0.20974300 1.0 Li Li3 1 0.92606100 0.57022800 0.79025700 1.0 Li Li4 1 0.59605600 0.96287900 0.89581600 1.0 Li Li5 1 0.88807100 0.01504100 0.93038500 1.0 Cr Cr6 1 0.71225500 0.70184400 0.33255400 1.0 Cr Cr7 1 0.28774500 0.29815600 0.66744600 1.0 H H8 1 0.88204800 0.34948300 0.03700200 1.0 H H9 1 0.50928900 0.86897800 0.21610500 1.0 H H10 1 0.21384800 0.70791900 0.17763000 1.0 H H11 1 0.26147700 0.53660200 0.12230000 1.0 H H12 1 0.86664200 0.27731900 0.17203600 1.0 H H13 1 0.98515000 0.70144600 0.33497600 1.0 H H14 1 0.38806500 0.83672500 0.42719500 1.0 H H15 1 0.44181800 0.69542900 0.46106100 1.0 H H16 1 0.08131700 0.70050200 0.45611000 1.0 H H17 1 0.83337400 0.40350200 0.40487200 1.0 H H18 1 0.50500700 0.04560700 0.34396900 1.0 H H19 1 0.74069700 0.23391800 0.40105200 1.0 H H20 1 0.25930300 0.76608200 0.59894800 1.0 H H21 1 0.49499300 0.95439300 0.65603100 1.0 H H22 1 0.16662600 0.59649800 0.59512800 1.0 H H23 1 0.91868300 0.29949800 0.54389000 1.0 H H24 1 0.55818200 0.30457100 0.53893900 1.0 H H25 1 0.61193500 0.16327500 0.57280500 1.0 H H26 1 0.01485000 0.29855400 0.66502400 1.0 H H27 1 0.13335800 0.72268100 0.82796400 1.0 H H28 1 0.73852300 0.46339800 0.87770000 1.0 H H29 1 0.78615200 0.29208100 0.82237000 1.0 H H30 1 0.49071100 0.13102200 0.78389500 1.0 H H31 1 0.11795200 0.65051700 0.96299800 1.0 C C32 1 0.73762800 0.86978100 0.11664100 1.0 C C33 1 0.86105700 0.86528800 0.16640600 1.0 C C34 1 0.59823200 0.34218700 0.15834300 1.0 C C35 1 0.51359600 0.40925600 0.27015700 1.0 C C36 1 0.18941500 0.24701200 0.37738000 1.0 C C37 1 0.22440800 0.07152100 0.36407700 1.0 C C38 1 0.77559200 0.92847900 0.63592300 1.0 C C39 1 0.81058500 0.75298800 0.62262000 1.0 C C40 1 0.48640400 0.59074400 0.72984300 1.0 C C41 1 0.40176800 0.65781300 0.84165700 1.0 C C42 1 0.13894300 0.13471200 0.83359400 1.0 C C43 1 0.26237200 0.13021900 0.88335900 1.0 O O44 1 0.72605900 0.93469500 0.01697200 1.0 O O45 1 0.94130300 0.91914100 0.09959900 1.0 O O46 1 0.65581300 0.80240200 0.18398000 1.0 O O47 1 0.19115300 0.57489200 0.12051600 1.0 O O48 1 0.20301100 0.94481500 0.23878100 1.0 O O49 1 0.45447900 0.93667700 0.26181200 1.0 O O50 1 0.91684800 0.28818200 0.09293200 1.0 O O51 1 0.56777500 0.18212400 0.06882800 1.0 O O52 1 0.69444500 0.46157300 0.16752300 1.0 O O53 1 0.86854200 0.80275500 0.27485500 1.0 O O54 1 0.42028700 0.30159200 0.26950400 1.0 O O55 1 0.54979800 0.57982500 0.35671300 1.0 O O56 1 0.03216900 0.62872600 0.35814500 1.0 O O57 1 0.14029600 0.25720600 0.26352200 1.0 O O58 1 0.72691700 0.92853300 0.51217400 1.0 O O59 1 0.81818200 0.27058200 0.36998400 1.0 O O60 1 0.39447500 0.77950800 0.50317100 1.0 O O61 1 0.78651200 0.63013000 0.48845400 1.0 O O62 1 0.21348800 0.36987000 0.51154600 1.0 O O63 1 0.60552500 0.22049200 0.49682900 1.0 O O64 1 0.18181800 0.72941800 0.63001600 1.0 O O65 1 0.27308300 0.07146700 0.48782600 1.0 O O66 1 0.85970400 0.74279400 0.73647800 1.0 O O67 1 0.96783100 0.37127400 0.64185500 1.0 O O68 1 0.45020200 0.42017500 0.64328700 1.0 O O69 1 0.57971300 0.69840800 0.73049600 1.0 O O70 1 0.13145800 0.19724500 0.72514500 1.0 O O71 1 0.30555500 0.53842700 0.83247700 1.0 O O72 1 0.43222500 0.81787600 0.93117200 1.0 O O73 1 0.08315200 0.71181800 0.90706800 1.0 O O74 1 0.54552100 0.06332300 0.73818800 1.0 O O75 1 0.79698900 0.05518500 0.76121900 1.0 O O76 1 0.80884700 0.42510800 0.87948400 1.0 O O77 1 0.34418700 0.19759800 0.81602000 1.0 O O78 1 0.05869700 0.08085900 0.90040100 1.0 O O79 1 0.27394100 0.06530500 0.98302800 1.0