# generated using pymatgen
data_LiHCO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.63782770
_cell_length_b   8.63782770
_cell_length_c   13.77546975
_cell_angle_alpha   82.43335843
_cell_angle_beta   82.43335843
_cell_angle_gamma   90.01282335
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiHCO2
_chemical_formula_sum   'Li16 H16 C16 O32'
_cell_volume   1009.83319434
_cell_formula_units_Z   16
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  0.83209600  0.17508300  0.99139900  1
  Li  Li1  1  0.82491700  0.16790400  0.50860100  1
  Li  Li2  1  0.16790400  0.82491700  0.00860100  1
  Li  Li3  1  0.17508300  0.83209600  0.49139900  1
  Li  Li4  1  0.05889400  0.10283600  0.84015100  1
  Li  Li5  1  0.89716400  0.94110600  0.65984900  1
  Li  Li6  1  0.94110600  0.89716400  0.15984900  1
  Li  Li7  1  0.10283600  0.05889400  0.34015100  1
  Li  Li8  1  0.39172800  0.26922600  0.24547700  1
  Li  Li9  1  0.73077400  0.60827200  0.25452300  1
  Li  Li10  1  0.60827200  0.73077400  0.75452300  1
  Li  Li11  1  0.26922600  0.39172800  0.74547700  1
  Li  Li12  1  0.60751200  0.41539300  0.08827800  1
  Li  Li13  1  0.58460700  0.39248800  0.41172200  1
  Li  Li14  1  0.39248800  0.58460700  0.91172200  1
  Li  Li15  1  0.41539300  0.60751200  0.58827800  1
  H  H16  1  0.64408100  0.90723600  0.91707300  1
  H  H17  1  0.09276400  0.35591900  0.58292700  1
  H  H18  1  0.35591900  0.09276400  0.08292700  1
  H  H19  1  0.90723600  0.64408100  0.41707300  1
  H  H20  1  0.12590000  0.39507000  0.02460500  1
  H  H21  1  0.60493000  0.87410000  0.47539500  1
  H  H22  1  0.87410000  0.60493000  0.97539500  1
  H  H23  1  0.39507000  0.12590000  0.52460500  1
  H  H24  1  0.77083500  0.38275900  0.81496200  1
  H  H25  1  0.61724100  0.22916500  0.68503800  1
  H  H26  1  0.22916500  0.61724100  0.18503800  1
  H  H27  1  0.38275900  0.77083500  0.31496200  1
  H  H28  1  0.66141800  0.02170700  0.26036200  1
  H  H29  1  0.97829300  0.33858200  0.23963800  1
  H  H30  1  0.33858200  0.97829300  0.73963800  1
  H  H31  1  0.02170700  0.66141800  0.76036200  1
  C  C32  1  0.75066800  0.94008300  0.86330000  1
  C  C33  1  0.05991700  0.24933200  0.63670000  1
  C  C34  1  0.24933200  0.05991700  0.13670000  1
  C  C35  1  0.94008300  0.75066800  0.36330000  1
  C  C36  1  0.14284600  0.35222600  0.95122800  1
  C  C37  1  0.64777400  0.85715400  0.54877200  1
  C  C38  1  0.85715400  0.64777400  0.04877200  1
  C  C39  1  0.35222600  0.14284600  0.45122800  1
  C  C40  1  0.68801100  0.42316800  0.87504600  1
  C  C41  1  0.57683200  0.31198900  0.62495400  1
  C  C42  1  0.31198900  0.57683200  0.12495400  1
  C  C43  1  0.42316800  0.68801100  0.37504600  1
  C  C44  1  0.68457300  0.10166400  0.18960800  1
  C  C45  1  0.89833600  0.31542700  0.31039200  1
  C  C46  1  0.31542700  0.89833600  0.81039200  1
  C  C47  1  0.10166400  0.68457300  0.68960800  1
  O  O48  1  0.84255600  0.04025600  0.88508800  1
  O  O49  1  0.95974400  0.15744400  0.61491200  1
  O  O50  1  0.15744400  0.95974400  0.11491200  1
  O  O51  1  0.04025600  0.84255600  0.38508800  1
  O  O52  1  0.76899800  0.87410000  0.78569300  1
  O  O53  1  0.12590000  0.23100200  0.71430700  1
  O  O54  1  0.23100200  0.12590000  0.21430700  1
  O  O55  1  0.87410000  0.76899800  0.28569300  1
  O  O56  1  0.04705800  0.24853600  0.93801500  1
  O  O57  1  0.75146400  0.95294200  0.56198500  1
  O  O58  1  0.95294200  0.75146400  0.06198500  1
  O  O59  1  0.24853600  0.04705800  0.43801500  1
  O  O60  1  0.25543000  0.41083000  0.88853300  1
  O  O61  1  0.58917000  0.74457000  0.61146700  1
  O  O62  1  0.74457000  0.58917000  0.11146700  1
  O  O63  1  0.41083000  0.25543000  0.38853300  1
  O  O64  1  0.60414000  0.53870800  0.85191400  1
  O  O65  1  0.46129200  0.39586000  0.64808600  1
  O  O66  1  0.39586000  0.46129200  0.14808600  1
  O  O67  1  0.53870800  0.60414000  0.35191400  1
  O  O68  1  0.68608800  0.34920900  0.96125400  1
  O  O69  1  0.65079100  0.31391200  0.53874600  1
  O  O70  1  0.31391200  0.65079100  0.03874600  1
  O  O71  1  0.34920900  0.68608800  0.46125400  1
  O  O72  1  0.59598200  0.21677000  0.17719200  1
  O  O73  1  0.78323000  0.40401800  0.32280800  1
  O  O74  1  0.40401800  0.78323000  0.82280800  1
  O  O75  1  0.21677000  0.59598200  0.67719200  1
  O  O76  1  0.79917200  0.06929300  0.12789200  1
  O  O77  1  0.93070700  0.20082800  0.37210800  1
  O  O78  1  0.20082800  0.93070700  0.87210800  1
  O  O79  1  0.06929300  0.79917200  0.62789200  1
