# generated using pymatgen
data_BaLi(B3O5)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.63070759
_cell_length_b   8.63070759
_cell_length_c   8.63070774
_cell_angle_alpha   80.72285465
_cell_angle_beta   80.72285465
_cell_angle_gamma   80.72285003
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLi(B3O5)3
_chemical_formula_sum   'Ba2 Li2 B18 O30'
_cell_volume   620.12198535
_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  0.00000000  0.00000000  0.00000000  1
  Ba  Ba1  1  0.50000000  0.50000000  0.50000000  1
  Li  Li2  1  0.75000000  0.75000000  0.75000000  1
  Li  Li3  1  0.25000000  0.25000000  0.25000000  1
  B  B4  1  0.75000000  0.31963700  0.18036300  1
  B  B5  1  0.58074600  0.10676400  0.24439300  1
  B  B6  1  0.25000000  0.68036300  0.81963700  1
  B  B7  1  0.24439300  0.58074600  0.10676400  1
  B  B8  1  0.89323600  0.75560700  0.41925400  1
  B  B9  1  0.08074600  0.74439300  0.60676400  1
  B  B10  1  0.68036300  0.81963700  0.25000000  1
  B  B11  1  0.25560700  0.39323600  0.91925400  1
  B  B12  1  0.91925400  0.25560700  0.39323600  1
  B  B13  1  0.39323600  0.91925400  0.25560700  1
  B  B14  1  0.18036300  0.75000000  0.31963700  1
  B  B15  1  0.10676400  0.24439300  0.58074600  1
  B  B16  1  0.81963700  0.25000000  0.68036300  1
  B  B17  1  0.74439300  0.60676400  0.08074600  1
  B  B18  1  0.75560700  0.41925400  0.89323600  1
  B  B19  1  0.41925400  0.89323600  0.75560700  1
  B  B20  1  0.31963700  0.18036300  0.75000000  1
  B  B21  1  0.60676400  0.08074600  0.74439300  1
  O  O22  1  0.29651600  0.01209700  0.77652800  1
  O  O23  1  0.89820800  0.24214600  0.24338700  1
  O  O24  1  0.60179200  0.25661300  0.25785400  1
  O  O25  1  0.24338700  0.89820800  0.24214600  1
  O  O26  1  0.51209700  0.79651600  0.27652800  1
  O  O27  1  0.92360800  0.75000000  0.57639200  1
  O  O28  1  0.07639200  0.25000000  0.42360800  1
  O  O29  1  0.24214600  0.24338700  0.89820800  1
  O  O30  1  0.27652800  0.51209700  0.79651600  1
  O  O31  1  0.74338700  0.74214600  0.39820800  1
  O  O32  1  0.74214600  0.39820800  0.74338700  1
  O  O33  1  0.75785400  0.75661300  0.10179200  1
  O  O34  1  0.57639200  0.92360800  0.75000000  1
  O  O35  1  0.75000000  0.57639200  0.92360800  1
  O  O36  1  0.98790300  0.22347200  0.70348400  1
  O  O37  1  0.25661300  0.25785400  0.60179200  1
  O  O38  1  0.72347200  0.48790300  0.20348400  1
  O  O39  1  0.01209700  0.77652800  0.29651600  1
  O  O40  1  0.75661300  0.10179200  0.75785400  1
  O  O41  1  0.77652800  0.29651600  0.01209700  1
  O  O42  1  0.25000000  0.42360800  0.07639200  1
  O  O43  1  0.79651600  0.27652800  0.51209700  1
  O  O44  1  0.20348400  0.72347200  0.48790300  1
  O  O45  1  0.70348400  0.98790300  0.22347200  1
  O  O46  1  0.42360800  0.07639200  0.25000000  1
  O  O47  1  0.10179200  0.75785400  0.75661300  1
  O  O48  1  0.25785400  0.60179200  0.25661300  1
  O  O49  1  0.22347200  0.70348400  0.98790300  1
  O  O50  1  0.39820800  0.74338700  0.74214600  1
  O  O51  1  0.48790300  0.20348400  0.72347200  1
