# generated using pymatgen
data_LiBS4(ClO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.63371500
_cell_length_b   9.05573300
_cell_length_c   21.29179952
_cell_angle_alpha   88.42406641
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBS4(ClO3)4
_chemical_formula_sum   'Li4 B4 S16 Cl16 O48'
_cell_volume   1664.06154717
_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  0.75032200  0.08874400  0.43845700  1
  Li  Li1  1  0.24967800  0.91125600  0.56154300  1
  Li  Li2  1  0.25032200  0.91125600  0.06154300  1
  Li  Li3  1  0.74967800  0.08874400  0.93845700  1
  B  B4  1  0.25509600  0.34917700  0.08841300  1
  B  B5  1  0.74490400  0.65082300  0.91158700  1
  B  B6  1  0.24490400  0.34917700  0.58841300  1
  B  B7  1  0.75509600  0.65082300  0.41158700  1
  S  S8  1  0.01873600  0.81106000  0.43871500  1
  S  S9  1  0.82130800  0.39777200  0.35048600  1
  S  S10  1  0.10645000  0.22535800  0.98673800  1
  S  S11  1  0.98126400  0.18894000  0.56128500  1
  S  S12  1  0.67869200  0.39777200  0.85048600  1
  S  S13  1  0.62557100  0.85256200  0.32796800  1
  S  S14  1  0.60645000  0.77464200  0.51326200  1
  S  S15  1  0.89355000  0.77464200  0.01326200  1
  S  S16  1  0.39355000  0.22535800  0.48673800  1
  S  S17  1  0.17869200  0.60222800  0.64951400  1
  S  S18  1  0.87442900  0.85256200  0.82796800  1
  S  S19  1  0.37442900  0.14743800  0.67203200  1
  S  S20  1  0.12557100  0.14743800  0.17203200  1
  S  S21  1  0.48126400  0.81106000  0.93871500  1
  S  S22  1  0.32130800  0.60222800  0.14951400  1
  S  S23  1  0.51873600  0.18894000  0.06128500  1
  Cl  Cl24  1  0.32831500  0.75317300  0.87213100  1
  Cl  Cl25  1  0.17168500  0.75317300  0.37213100  1
  Cl  Cl26  1  0.79947000  0.64165100  0.08108300  1
  Cl  Cl27  1  0.25096300  0.06106500  0.74490100  1
  Cl  Cl28  1  0.74903700  0.93893500  0.25509900  1
  Cl  Cl29  1  0.24903700  0.06106500  0.24490100  1
  Cl  Cl30  1  0.29947000  0.35834900  0.41891700  1
  Cl  Cl31  1  0.82398000  0.42849600  0.77628300  1
  Cl  Cl32  1  0.75096300  0.93893500  0.75509900  1
  Cl  Cl33  1  0.17602000  0.57150400  0.22371700  1
  Cl  Cl34  1  0.82831500  0.24682700  0.62786900  1
  Cl  Cl35  1  0.32398000  0.57150400  0.72371700  1
  Cl  Cl36  1  0.70053000  0.64165100  0.58108300  1
  Cl  Cl37  1  0.67168500  0.24682700  0.12786900  1
  Cl  Cl38  1  0.67602000  0.42849600  0.27628300  1
  Cl  Cl39  1  0.20053000  0.35834900  0.91891700  1
  O  O40  1  0.59376900  0.67725200  0.94281400  1
  O  O41  1  0.75498600  0.73383400  0.85109800  1
  O  O42  1  0.80705700  0.24556500  0.37002900  1
  O  O43  1  0.90623100  0.67725200  0.44281400  1
  O  O44  1  0.44385000  0.05682000  0.08457800  1
  O  O45  1  0.96926600  0.45727400  0.33314600  1
  O  O46  1  0.70100000  0.90532500  0.50931400  1
  O  O47  1  0.20100000  0.09467500  0.99068600  1
  O  O48  1  0.79900000  0.90532500  0.00931400  1
  O  O49  1  0.39865500  0.81029600  0.99705200  1
  O  O50  1  0.05557300  0.78699000  0.02648900  1
  O  O51  1  0.25498600  0.26616600  0.64890200  1
  O  O52  1  0.30705700  0.75443500  0.12997100  1
  O  O53  1  0.51007000  0.21505700  0.69694800  1
  O  O54  1  0.01007000  0.78494300  0.80305200  1
  O  O55  1  0.24106800  0.50976200  0.09796100  1
  O  O56  1  0.69294300  0.24556500  0.87002900  1
  O  O57  1  0.74106800  0.49023800  0.40203900  1
  O  O58  1  0.94385000  0.94318000  0.41542200  1
  O  O59  1  0.29900000  0.09467500  0.49068600  1
  O  O60  1  0.48993000  0.78494300  0.30305200  1
  O  O61  1  0.46926600  0.54272600  0.16685400  1
  O  O62  1  0.19294300  0.75443500  0.62997100  1
  O  O63  1  0.44442700  0.78699000  0.52648900  1
  O  O64  1  0.89865500  0.18970400  0.50294800  1
  O  O65  1  0.53073400  0.45727400  0.83314600  1
  O  O66  1  0.25893200  0.50976200  0.59796100  1
  O  O67  1  0.05615000  0.05682000  0.58457800  1
  O  O68  1  0.74501400  0.73383400  0.35109800  1
  O  O69  1  0.60830700  0.96605400  0.37370900  1
  O  O70  1  0.03073400  0.54272600  0.66685400  1
  O  O71  1  0.37917300  0.31856300  0.54646300  1
  O  O72  1  0.10830700  0.03394600  0.12629100  1
  O  O73  1  0.09376900  0.32274800  0.55718600  1
  O  O74  1  0.60134500  0.18970400  0.00294800  1
  O  O75  1  0.39169300  0.03394600  0.62629100  1
  O  O76  1  0.12082700  0.31856300  0.04646300  1
  O  O77  1  0.75893200  0.49023800  0.90203900  1
  O  O78  1  0.62082700  0.68143700  0.45353700  1
  O  O79  1  0.24501400  0.26616600  0.14890200  1
  O  O80  1  0.89169300  0.96605400  0.87370900  1
  O  O81  1  0.55557300  0.21301000  0.47351100  1
  O  O82  1  0.98993000  0.21505700  0.19694800  1
  O  O83  1  0.55615000  0.94318000  0.91542200  1
  O  O84  1  0.10134500  0.81029600  0.49705200  1
  O  O85  1  0.40623100  0.32274800  0.05718600  1
  O  O86  1  0.87917300  0.68143700  0.95353700  1
  O  O87  1  0.94442700  0.21301000  0.97351100  1
