# generated using pymatgen
data_Li3B5(HO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.94090800
_cell_length_b   6.94090800
_cell_length_c   14.69526700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3B5(HO5)2
_chemical_formula_sum   'Li12 B20 H8 O40'
_cell_volume   707.96217883
_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  0.36483100  0.35180700  0.09293900  1
  Li  Li1  1  0.63516900  0.64819300  0.59293900  1
  Li  Li2  1  0.85180700  0.13516900  0.34293900  1
  Li  Li3  1  0.14819300  0.86483100  0.84293900  1
  Li  Li4  1  0.64819300  0.63516900  0.40706100  1
  Li  Li5  1  0.35180700  0.36483100  0.90706100  1
  Li  Li6  1  0.13516900  0.85180700  0.65706100  1
  Li  Li7  1  0.86483100  0.14819300  0.15706100  1
  Li  Li8  1  0.30565400  0.69434600  0.25000000  1
  Li  Li9  1  0.69434600  0.30565400  0.75000000  1
  Li  Li10  1  0.19434600  0.19434600  0.50000000  1
  Li  Li11  1  0.80565400  0.80565400  0.00000000  1
  B  B12  1  0.25683800  0.99735800  0.14225100  1
  B  B13  1  0.74316200  0.00264200  0.64225100  1
  B  B14  1  0.49735800  0.24316200  0.39225100  1
  B  B15  1  0.50264200  0.75683800  0.89225100  1
  B  B16  1  0.00264200  0.74316200  0.35774900  1
  B  B17  1  0.99735800  0.25683800  0.85774900  1
  B  B18  1  0.24316200  0.49735800  0.60774900  1
  B  B19  1  0.75683800  0.50264200  0.10774900  1
  B  B20  1  0.25704600  0.23895600  0.27216000  1
  B  B21  1  0.74295400  0.76104400  0.77216000  1
  B  B22  1  0.73895600  0.24295400  0.52216000  1
  B  B23  1  0.26104400  0.75704600  0.02216000  1
  B  B24  1  0.76104400  0.74295400  0.22784000  1
  B  B25  1  0.23895600  0.25704600  0.72784000  1
  B  B26  1  0.24295400  0.73895600  0.47784000  1
  B  B27  1  0.75704600  0.26104400  0.97784000  1
  B  B28  1  0.56370800  0.43629200  0.25000000  1
  B  B29  1  0.43629200  0.56370800  0.75000000  1
  B  B30  1  0.93629200  0.93629200  0.50000000  1
  B  B31  1  0.06370800  0.06370800  0.00000000  1
  H  H32  1  0.01494700  0.40158300  0.26610400  1
  H  H33  1  0.98505300  0.59841700  0.76610400  1
  H  H34  1  0.90158300  0.48505300  0.51610400  1
  H  H35  1  0.09841700  0.51494700  0.01610400  1
  H  H36  1  0.59841700  0.98505300  0.23389600  1
  H  H37  1  0.40158300  0.01494700  0.73389600  1
  H  H38  1  0.48505300  0.90158300  0.48389600  1
  H  H39  1  0.51494700  0.09841700  0.98389600  1
  O  O40  1  0.28092500  0.80749800  0.11987800  1
  O  O41  1  0.71907500  0.19250200  0.61987800  1
  O  O42  1  0.30749800  0.21907500  0.36987800  1
  O  O43  1  0.69250200  0.78092500  0.86987800  1
  O  O44  1  0.19250200  0.71907500  0.38012200  1
  O  O45  1  0.80749800  0.28092500  0.88012200  1
  O  O46  1  0.21907500  0.30749800  0.63012200  1
  O  O47  1  0.78092500  0.69250200  0.13012200  1
  O  O48  1  0.35767700  0.40454900  0.23101300  1
  O  O49  1  0.64232300  0.59545100  0.73101300  1
  O  O50  1  0.90454900  0.14232300  0.48101300  1
  O  O51  1  0.09545100  0.85767700  0.98101300  1
  O  O52  1  0.59545100  0.64232300  0.26898700  1
  O  O53  1  0.40454900  0.35767700  0.76898700  1
  O  O54  1  0.14232300  0.90454900  0.51898700  1
  O  O55  1  0.85767700  0.09545100  0.01898700  1
  O  O56  1  0.67619200  0.37132000  0.16802600  1
  O  O57  1  0.32380800  0.62868000  0.66802600  1
  O  O58  1  0.87132000  0.82380800  0.41802600  1
  O  O59  1  0.12868000  0.17619200  0.91802600  1
  O  O60  1  0.62868000  0.32380800  0.33197400  1
  O  O61  1  0.37132000  0.67619200  0.83197400  1
  O  O62  1  0.82380800  0.87132000  0.58197400  1
  O  O63  1  0.17619200  0.12868000  0.08197400  1
  O  O64  1  0.31553800  0.05331200  0.22755300  1
  O  O65  1  0.68446200  0.94668800  0.72755300  1
  O  O66  1  0.55331200  0.18446200  0.47755300  1
  O  O67  1  0.44668800  0.81553800  0.97755300  1
  O  O68  1  0.94668800  0.68446200  0.27244700  1
  O  O69  1  0.05331200  0.31553800  0.77244700  1
  O  O70  1  0.18446200  0.55331200  0.52244700  1
  O  O71  1  0.81553800  0.44668800  0.02244700  1
  O  O72  1  0.04581500  0.26301400  0.26244300  1
  O  O73  1  0.95418500  0.73698600  0.76244300  1
  O  O74  1  0.76301400  0.45418500  0.51244300  1
  O  O75  1  0.23698600  0.54581500  0.01244300  1
  O  O76  1  0.73698600  0.95418500  0.23755700  1
  O  O77  1  0.26301400  0.04581500  0.73755700  1
  O  O78  1  0.45418500  0.76301400  0.48755700  1
  O  O79  1  0.54581500  0.23698600  0.98755700  1
