# generated using pymatgen
data_LiB(SO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.55410200
_cell_length_b   7.79267100
_cell_length_c   8.58042475
_cell_angle_alpha   87.67545240
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiB(SO4)2
_chemical_formula_sum   'Li4 B4 S8 O32'
_cell_volume   638.30387007
_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  0.87639100  0.23758700  0.46585500  1
  Li  Li1  1  0.12360900  0.23758700  0.96585500  1
  Li  Li2  1  0.33182900  0.72191400  0.13112200  1
  Li  Li3  1  0.66817100  0.72191400  0.63112200  1
  B  B4  1  0.60236100  0.21855500  0.98262200  1
  B  B5  1  0.39763900  0.21855500  0.48262200  1
  B  B6  1  0.14662100  0.73325000  0.60304400  1
  B  B7  1  0.85337900  0.73325000  0.10304400  1
  S  S8  1  0.62374300  0.57227500  0.98595100  1
  S  S9  1  0.37625700  0.57227500  0.48595100  1
  S  S10  1  0.61203800  0.12089200  0.67871500  1
  S  S11  1  0.38796200  0.12089200  0.17871500  1
  S  S12  1  0.94157000  0.64571000  0.40262500  1
  S  S13  1  0.05843000  0.64571000  0.90262500  1
  S  S14  1  0.16180800  0.08437700  0.62113200  1
  S  S15  1  0.83819200  0.08437700  0.12113200  1
  O  O16  1  0.67670900  0.57457100  0.82825000  1
  O  O17  1  0.32329100  0.57457100  0.32825000  1
  O  O18  1  0.51065300  0.68725700  0.01898700  1
  O  O19  1  0.48934700  0.68725700  0.51898700  1
  O  O20  1  0.70836200  0.23412900  0.59554500  1
  O  O21  1  0.29163800  0.23412900  0.09554500  1
  O  O22  1  0.66106200  0.95119700  0.72406800  1
  O  O23  1  0.33893800  0.95119700  0.22406800  1
  O  O24  1  0.96588700  0.46505900  0.43565300  1
  O  O25  1  0.03411300  0.46505900  0.93565300  1
  O  O26  1  0.81350600  0.71778000  0.46102800  1
  O  O27  1  0.18649400  0.71778000  0.96102800  1
  O  O28  1  0.01762400  0.08993400  0.57157700  1
  O  O29  1  0.98237600  0.08993400  0.07157700  1
  O  O30  1  0.19631600  0.16034400  0.76634700  1
  O  O31  1  0.80368400  0.16034400  0.26634700  1
  O  O32  1  0.57502800  0.39131100  0.03975500  1
  O  O33  1  0.42497200  0.39131100  0.53975500  1
  O  O34  1  0.74555200  0.59731400  0.10344300  1
  O  O35  1  0.25444800  0.59731400  0.60344300  1
  O  O36  1  0.55307300  0.21337200  0.82026000  1
  O  O37  1  0.44692700  0.21337200  0.32026000  1
  O  O38  1  0.47758000  0.09572100  0.58285000  1
  O  O39  1  0.52242000  0.09572100  0.08285000  1
  O  O40  1  0.04363800  0.68481700  0.72563900  1
  O  O41  1  0.95636200  0.68481700  0.22563900  1
  O  O42  1  0.06961200  0.75075100  0.45435300  1
  O  O43  1  0.93038800  0.75075100  0.95435300  1
  O  O44  1  0.75200600  0.17095800  0.98713900  1
  O  O45  1  0.24799400  0.17095800  0.48713900  1
  O  O46  1  0.21759000  0.89778600  0.62910900  1
  O  O47  1  0.78241000  0.89778600  0.12910900  1
