# generated using pymatgen
data_Ba3Li2B10(H3O11)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.85065000
_cell_length_b   6.85065000
_cell_length_c   21.12137942
_cell_angle_alpha   78.19873223
_cell_angle_beta   78.19873223
_cell_angle_gamma   65.57494097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3Li2B10(H3O11)2
_chemical_formula_sum   'Ba6 Li4 B20 H12 O44'
_cell_volume   875.42673123
_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
  Ba  Ba0  1  0.86288700  0.92397700  0.09575500  1
  Ba  Ba1  1  0.07602300  0.13711300  0.40424500  1
  Ba  Ba2  1  0.13711300  0.07602300  0.90424500  1
  Ba  Ba3  1  0.92397700  0.86288700  0.59575500  1
  Ba  Ba4  1  0.74793100  0.25206900  0.25000000  1
  Ba  Ba5  1  0.25206900  0.74793100  0.75000000  1
  Li  Li6  1  0.27294600  0.18548200  0.03932700  1
  Li  Li7  1  0.81451800  0.72705400  0.46067300  1
  Li  Li8  1  0.72705400  0.81451800  0.96067300  1
  Li  Li9  1  0.18548200  0.27294600  0.53932700  1
  B  B10  1  0.38618900  0.41418200  0.13239700  1
  B  B11  1  0.58581800  0.61381100  0.36760300  1
  B  B12  1  0.61381100  0.58581800  0.86760300  1
  B  B13  1  0.41418200  0.38618900  0.63239700  1
  B  B14  1  0.17906200  0.40220200  0.24693100  1
  B  B15  1  0.59779800  0.82093800  0.25306900  1
  B  B16  1  0.82093800  0.59779800  0.75306900  1
  B  B17  1  0.40220200  0.17906200  0.74693100  1
  B  B18  1  0.75366100  0.45922500  0.08997400  1
  B  B19  1  0.54077500  0.24633900  0.41002600  1
  B  B20  1  0.24633900  0.54077500  0.91002600  1
  B  B21  1  0.45922500  0.75366100  0.58997400  1
  B  B22  1  0.40155800  0.73300100  0.04979500  1
  B  B23  1  0.26699900  0.59844200  0.45020500  1
  B  B24  1  0.59844200  0.26699900  0.95020500  1
  B  B25  1  0.73300100  0.40155800  0.54979500  1
  B  B26  1  0.29179400  0.08753000  0.18408500  1
  B  B27  1  0.91247000  0.70820600  0.31591500  1
  B  B28  1  0.70820600  0.91247000  0.81591500  1
  B  B29  1  0.08753000  0.29179400  0.68408500  1
  H  H30  1  0.86893600  0.37747000  0.00071100  1
  H  H31  1  0.62253000  0.13106400  0.49928900  1
  H  H32  1  0.13106400  0.62253000  0.99928900  1
  H  H33  1  0.37747000  0.86893600  0.50071100  1
  H  H34  1  0.02369200  0.41296400  0.12916800  1
  H  H35  1  0.58703600  0.97630800  0.37083200  1
  H  H36  1  0.97630800  0.58703600  0.87083200  1
  H  H37  1  0.41296400  0.02369200  0.62916800  1
  H  H38  1  0.22176100  0.82220300  0.18669700  1
  H  H39  1  0.17779700  0.77823900  0.31330300  1
  H  H40  1  0.77823900  0.17779700  0.81330300  1
  H  H41  1  0.82220300  0.22176100  0.68669700  1
  O  O42  1  0.62311700  0.33534200  0.12625600  1
  O  O43  1  0.66465800  0.37688300  0.37374400  1
  O  O44  1  0.37688300  0.66465800  0.87374400  1
  O  O45  1  0.33534200  0.62311700  0.62625600  1
  O  O46  1  0.30856500  0.24693400  0.12683700  1
  O  O47  1  0.75306600  0.69143500  0.37316300  1
  O  O48  1  0.69143500  0.75306600  0.87316300  1
  O  O49  1  0.24693400  0.30856500  0.62683700  1
  O  O50  1  0.62298900  0.66698400  0.05388700  1
  O  O51  1  0.33301600  0.37701100  0.44611300  1
  O  O52  1  0.37701100  0.33301600  0.94611300  1
  O  O53  1  0.66698400  0.62298900  0.55388700  1
  O  O54  1  0.17499600  0.20464700  0.24266700  1
  O  O55  1  0.79535300  0.82500400  0.25733300  1
  O  O56  1  0.82500400  0.79535300  0.75733300  1
  O  O57  1  0.20464700  0.17499600  0.74266700  1
  O  O58  1  0.29502100  0.59795300  0.08225600  1
  O  O59  1  0.40204700  0.70497900  0.41774400  1
  O  O60  1  0.70497900  0.40204700  0.91774400  1
  O  O61  1  0.59795300  0.29502100  0.58225600  1
  O  O62  1  0.92812800  0.32700900  0.04206300  1
  O  O63  1  0.67299100  0.07187200  0.45793700  1
  O  O64  1  0.07187200  0.67299100  0.95793700  1
  O  O65  1  0.32700900  0.92812800  0.54206300  1
  O  O66  1  0.86509100  0.49974300  0.13658200  1
  O  O67  1  0.50025700  0.13490900  0.36341800  1
  O  O68  1  0.13490900  0.50025700  0.86341800  1
  O  O69  1  0.49974300  0.86509100  0.63658200  1
  O  O70  1  0.06338700  0.48821400  0.30293200  1
  O  O71  1  0.51178600  0.93661300  0.19706800  1
  O  O72  1  0.93661300  0.51178600  0.69706800  1
  O  O73  1  0.48821400  0.06338700  0.80293200  1
  O  O74  1  0.16009000  0.97796700  0.17150800  1
  O  O75  1  0.02203300  0.83991000  0.32849200  1
  O  O76  1  0.83991000  0.02203300  0.82849200  1
  O  O77  1  0.97796700  0.16009000  0.67150800  1
  O  O78  1  0.29233500  0.92060000  0.01474400  1
  O  O79  1  0.07940000  0.70766500  0.48525600  1
  O  O80  1  0.70766500  0.07940000  0.98525600  1
  O  O81  1  0.92060000  0.29233500  0.51474400  1
  O  O82  1  0.29593100  0.49513000  0.19940100  1
  O  O83  1  0.50487000  0.70406900  0.30059900  1
  O  O84  1  0.70406900  0.50487000  0.80059900  1
  O  O85  1  0.49513000  0.29593100  0.69940100  1
