# generated using pymatgen
data_LiBH4C2(O3F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.07942800
_cell_length_b   5.68557500
_cell_length_c   9.63083841
_cell_angle_alpha   74.31855183
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBH4C2(O3F)2
_chemical_formula_sum   'Li4 B4 H16 C8 O24 F8'
_cell_volume   689.53130982
_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  0.74860500  0.45195600  0.29764800  1
  Li  Li1  1  0.24860500  0.04804400  0.70235200  1
  Li  Li2  1  0.25139500  0.54804400  0.70235200  1
  Li  Li3  1  0.75139500  0.95195600  0.29764800  1
  B  B4  1  0.61825500  0.51759300  0.82363200  1
  B  B5  1  0.11825500  0.98240700  0.17636800  1
  B  B6  1  0.38174500  0.48240700  0.17636800  1
  B  B7  1  0.88174500  0.01759300  0.82363200  1
  H  H8  1  0.60131600  0.75891600  0.16317800  1
  H  H9  1  0.10131600  0.74108400  0.83682200  1
  H  H10  1  0.39868400  0.24108400  0.83682200  1
  H  H11  1  0.89868400  0.25891600  0.16317800  1
  H  H12  1  0.69812100  0.81731700  0.06224700  1
  H  H13  1  0.19812100  0.68268300  0.93775300  1
  H  H14  1  0.30187900  0.18268300  0.93775300  1
  H  H15  1  0.80187900  0.31731700  0.06224700  1
  H  H16  1  0.90121700  0.67740600  0.39693500  1
  H  H17  1  0.40121700  0.82259400  0.60306500  1
  H  H18  1  0.09878300  0.32259400  0.60306500  1
  H  H19  1  0.59878300  0.17740600  0.39693500  1
  H  H20  1  0.92115500  0.71886600  0.23117600  1
  H  H21  1  0.42115500  0.78113400  0.76882400  1
  H  H22  1  0.07884500  0.28113400  0.76882400  1
  H  H23  1  0.57884500  0.21886600  0.23117600  1
  C  C24  1  0.65879800  0.54501300  0.58560000  1
  C  C25  1  0.15879800  0.95498700  0.41440000  1
  C  C26  1  0.34120200  0.45498700  0.41440000  1
  C  C27  1  0.84120200  0.04501300  0.58560000  1
  C  C28  1  0.58049600  0.33691200  0.63989100  1
  C  C29  1  0.08049600  0.16308800  0.36010900  1
  C  C30  1  0.41950400  0.66308800  0.36010900  1
  C  C31  1  0.91950400  0.83691200  0.63989100  1
  O  O32  1  0.67888700  0.64492600  0.69098600  1
  O  O33  1  0.17888700  0.85507400  0.30901400  1
  O  O34  1  0.32111300  0.35507400  0.30901400  1
  O  O35  1  0.82111300  0.14492600  0.69098600  1
  O  O36  1  0.55415300  0.33280300  0.77361400  1
  O  O37  1  0.05415300  0.16719700  0.22638600  1
  O  O38  1  0.44584700  0.66719700  0.22638600  1
  O  O39  1  0.94584700  0.83280300  0.77361400  1
  O  O40  1  0.69372800  0.60879200  0.46335500  1
  O  O41  1  0.19372800  0.89120800  0.53664500  1
  O  O42  1  0.30627200  0.39120800  0.53664500  1
  O  O43  1  0.80627200  0.10879200  0.46335500  1
  O  O44  1  0.54686800  0.20363200  0.57001400  1
  O  O45  1  0.04686800  0.29636800  0.42998600  1
  O  O46  1  0.45313200  0.79636800  0.42998600  1
  O  O47  1  0.95313200  0.70363200  0.57001400  1
  O  O48  1  0.67597000  0.76884000  0.16287900  1
  O  O49  1  0.17597000  0.73116000  0.83712100  1
  O  O50  1  0.32403000  0.23116000  0.83712100  1
  O  O51  1  0.82403000  0.26884000  0.16287900  1
  O  O52  1  0.86681500  0.69513200  0.30330000  1
  O  O53  1  0.36681500  0.80486800  0.69670000  1
  O  O54  1  0.13318500  0.30486800  0.69670000  1
  O  O55  1  0.63318500  0.19513200  0.30330000  1
  F  F56  1  0.68368700  0.39773500  0.93427000  1
  F  F57  1  0.18368700  0.10226500  0.06573000  1
  F  F58  1  0.31631300  0.60226500  0.06573000  1
  F  F59  1  0.81631300  0.89773500  0.93427000  1
  F  F60  1  0.55512700  0.68345300  0.86574500  1
  F  F61  1  0.05512700  0.81654700  0.13425500  1
  F  F62  1  0.44487300  0.31654700  0.13425500  1
  F  F63  1  0.94487300  0.18345300  0.86574500  1
