# generated using pymatgen
data_LiB6S4(Cl3O4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.23840500
_cell_length_b   10.58025586
_cell_length_c   10.63654998
_cell_angle_alpha   116.37051617
_cell_angle_beta   94.93027478
_cell_angle_gamma   101.27858856
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiB6S4(Cl3O4)2
_chemical_formula_sum   'Li2 B12 S8 Cl12 O16'
_cell_volume   992.59492750
_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  0.83905800  0.91170100  0.24203300  1
  Li  Li1  1  0.16094200  0.08829900  0.75796700  1
  B  B2  1  0.59566400  0.64975900  0.65052700  1
  B  B3  1  0.40433600  0.35024100  0.34947300  1
  B  B4  1  0.65170400  0.58673200  0.48317900  1
  B  B5  1  0.34829600  0.41326800  0.51682100  1
  B  B6  1  0.50982900  0.66508200  0.50559000  1
  B  B7  1  0.49017100  0.33491800  0.49441000  1
  B  B8  1  0.41387500  0.60801800  0.61323900  1
  B  B9  1  0.58612500  0.39198200  0.38676100  1
  B  B10  1  0.49574700  0.49450000  0.65780700  1
  B  B11  1  0.50425300  0.50550000  0.34219300  1
  B  B12  1  0.64301600  0.48033400  0.57728700  1
  B  B13  1  0.35698400  0.51966600  0.42271300  1
  S  S14  1  0.82910000  0.09904400  0.60649000  1
  S  S15  1  0.17090000  0.90095600  0.39351000  1
  S  S16  1  0.96874200  0.19344000  0.17233800  1
  S  S17  1  0.03125800  0.80656000  0.82766200  1
  S  S18  1  0.49350600  0.88478300  0.11799900  1
  S  S19  1  0.50649400  0.11521700  0.88200100  1
  S  S20  1  0.81822100  0.54736800  0.04911700  1
  S  S21  1  0.18177900  0.45263200  0.95088300  1
  Cl  Cl22  1  0.69459800  0.80993600  0.80900800  1
  Cl  Cl23  1  0.30540200  0.19006400  0.19099200  1
  Cl  Cl24  1  0.81039100  0.67941000  0.46613200  1
  Cl  Cl25  1  0.18960900  0.32059000  0.53386800  1
  Cl  Cl26  1  0.51899200  0.83987000  0.51355200  1
  Cl  Cl27  1  0.48100800  0.16013000  0.48644800  1
  Cl  Cl28  1  0.32620000  0.72448400  0.73593800  1
  Cl  Cl29  1  0.67380000  0.27551600  0.26406200  1
  Cl  Cl30  1  0.49004800  0.49099800  0.82445000  1
  Cl  Cl31  1  0.50995200  0.50900200  0.17555000  1
  Cl  Cl32  1  0.79257600  0.45779500  0.65748800  1
  Cl  Cl33  1  0.20742400  0.54220500  0.34251200  1
  O  O34  1  0.82884600  0.04414400  0.45456500  1
  O  O35  1  0.17115400  0.95585600  0.54543500  1
  O  O36  1  0.94684300  0.09888000  0.69231400  1
  O  O37  1  0.05315700  0.90112000  0.30768600  1
  O  O38  1  0.90891200  0.05510800  0.16985600  1
  O  O39  1  0.09108800  0.94489200  0.83014400  1
  O  O40  1  0.95209700  0.19278200  0.03555300  1
  O  O41  1  0.04790300  0.80721800  0.96444700  1
  O  O42  1  0.62294800  0.88369200  0.18510400  1
  O  O43  1  0.37705200  0.11630800  0.81489600  1
  O  O44  1  0.37185800  0.80542800  0.13750200  1
  O  O45  1  0.62814200  0.19457200  0.86249800  1
  O  O46  1  0.80355500  0.69471900  0.09718700  1
  O  O47  1  0.19644500  0.30528100  0.90281300  1
  O  O48  1  0.92588800  0.53004800  0.13284700  1
  O  O49  1  0.07411200  0.46995200  0.86715300  1
