# generated using pymatgen
data_Li3CrH12(CO3)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.12267400
_cell_length_b   9.42754771
_cell_length_c   12.02556140
_cell_angle_alpha   92.01573779
_cell_angle_beta   104.51166313
_cell_angle_gamma   109.44382100
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3CrH12(CO3)6
_chemical_formula_sum   'Li6 Cr2 H24 C12 O36'
_cell_volume   833.53406051
_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  0.98495900  0.06961500  0.11192900  1
  Li  Li1  1  0.03712100  0.10418400  0.40394400  1
  Li  Li2  1  0.42977200  0.20974300  0.07393900  1
  Li  Li3  1  0.57022800  0.79025700  0.92606100  1
  Li  Li4  1  0.96287900  0.89581600  0.59605600  1
  Li  Li5  1  0.01504100  0.93038500  0.88807100  1
  Cr  Cr6  1  0.70184400  0.33255400  0.71225500  1
  Cr  Cr7  1  0.29815600  0.66744600  0.28774500  1
  H  H8  1  0.34948300  0.03700200  0.88204800  1
  H  H9  1  0.86897800  0.21610500  0.50928900  1
  H  H10  1  0.70791900  0.17763000  0.21384800  1
  H  H11  1  0.53660200  0.12230000  0.26147700  1
  H  H12  1  0.27731900  0.17203600  0.86664200  1
  H  H13  1  0.70144600  0.33497600  0.98515000  1
  H  H14  1  0.83672500  0.42719500  0.38806500  1
  H  H15  1  0.69542900  0.46106100  0.44181800  1
  H  H16  1  0.70050200  0.45611000  0.08131700  1
  H  H17  1  0.40350200  0.40487200  0.83337400  1
  H  H18  1  0.04560700  0.34396900  0.50500700  1
  H  H19  1  0.23391800  0.40105200  0.74069700  1
  H  H20  1  0.76608200  0.59894800  0.25930300  1
  H  H21  1  0.95439300  0.65603100  0.49499300  1
  H  H22  1  0.59649800  0.59512800  0.16662600  1
  H  H23  1  0.29949800  0.54389000  0.91868300  1
  H  H24  1  0.30457100  0.53893900  0.55818200  1
  H  H25  1  0.16327500  0.57280500  0.61193500  1
  H  H26  1  0.29855400  0.66502400  0.01485000  1
  H  H27  1  0.72268100  0.82796400  0.13335800  1
  H  H28  1  0.46339800  0.87770000  0.73852300  1
  H  H29  1  0.29208100  0.82237000  0.78615200  1
  H  H30  1  0.13102200  0.78389500  0.49071100  1
  H  H31  1  0.65051700  0.96299800  0.11795200  1
  C  C32  1  0.86978100  0.11664100  0.73762800  1
  C  C33  1  0.86528800  0.16640700  0.86105700  1
  C  C34  1  0.34218700  0.15834300  0.59823200  1
  C  C35  1  0.40925600  0.27015700  0.51359600  1
  C  C36  1  0.24701200  0.37738000  0.18941500  1
  C  C37  1  0.07152100  0.36407700  0.22440800  1
  C  C38  1  0.92847900  0.63592300  0.77559200  1
  C  C39  1  0.75298800  0.62262000  0.81058500  1
  C  C40  1  0.59074400  0.72984300  0.48640400  1
  C  C41  1  0.65781300  0.84165700  0.40176800  1
  C  C42  1  0.13471200  0.83359300  0.13894300  1
  C  C43  1  0.13021900  0.88335900  0.26237200  1
  O  O44  1  0.93469500  0.01697200  0.72605900  1
  O  O45  1  0.91914100  0.09959900  0.94130300  1
  O  O46  1  0.80240200  0.18398000  0.65581300  1
  O  O47  1  0.57489200  0.12051600  0.19115300  1
  O  O48  1  0.94481500  0.23878100  0.20301100  1
  O  O49  1  0.93667700  0.26181200  0.45447900  1
  O  O50  1  0.28818200  0.09293200  0.91684800  1
  O  O51  1  0.18212400  0.06882800  0.56777500  1
  O  O52  1  0.46157300  0.16752300  0.69444500  1
  O  O53  1  0.80275500  0.27485500  0.86854200  1
  O  O54  1  0.30159200  0.26950400  0.42028700  1
  O  O55  1  0.57982500  0.35671300  0.54979800  1
  O  O56  1  0.62872600  0.35814500  0.03216900  1
  O  O57  1  0.25720600  0.26352200  0.14029600  1
  O  O58  1  0.92853300  0.51217400  0.72691700  1
  O  O59  1  0.27058200  0.36998400  0.81818200  1
  O  O60  1  0.77950800  0.50317100  0.39447500  1
  O  O61  1  0.63013000  0.48845400  0.78651200  1
  O  O62  1  0.36987000  0.51154600  0.21348800  1
  O  O63  1  0.22049200  0.49682900  0.60552500  1
  O  O64  1  0.72941800  0.63001600  0.18181800  1
  O  O65  1  0.07146700  0.48782600  0.27308300  1
  O  O66  1  0.74279400  0.73647800  0.85970400  1
  O  O67  1  0.37127400  0.64185500  0.96783100  1
  O  O68  1  0.42017500  0.64328700  0.45020200  1
  O  O69  1  0.69840800  0.73049600  0.57971300  1
  O  O70  1  0.19724500  0.72514500  0.13145800  1
  O  O71  1  0.53842700  0.83247700  0.30555500  1
  O  O72  1  0.81787600  0.93117200  0.43222500  1
  O  O73  1  0.71181800  0.90706800  0.08315200  1
  O  O74  1  0.06332300  0.73818800  0.54552100  1
  O  O75  1  0.05518500  0.76121900  0.79698900  1
  O  O76  1  0.42510800  0.87948400  0.80884700  1
  O  O77  1  0.19759800  0.81602000  0.34418700  1
  O  O78  1  0.08085900  0.90040100  0.05869700  1
  O  O79  1  0.06530500  0.98302800  0.27394100  1
