# generated using pymatgen
data_BaLi(B3O5)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.51287458
_cell_length_b   8.51287494
_cell_length_c   8.51287420
_cell_angle_alpha   80.37051976
_cell_angle_beta   80.37052316
_cell_angle_gamma   80.37051636
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLi(B3O5)3
_chemical_formula_sum   'Ba2 Li2 B18 O30'
_cell_volume   593.46830109
_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  0.49847791  0.49847791  0.49847791  1
  Ba  Ba1  1  0.99847791  0.99847791  0.99847791  1
  Li  Li2  1  0.24432223  0.24432223  0.24432223  1
  Li  Li3  1  0.74432223  0.74432223  0.74432223  1
  B  B4  1  0.74648924  0.60863659  0.07890348  1
  B  B5  1  0.25024918  0.68022975  0.81931457  1
  B  B6  1  0.75024918  0.31931457  0.18022975  1
  B  B7  1  0.31931457  0.18022975  0.75024918  1
  B  B8  1  0.10863659  0.24648924  0.57890348  1
  B  B9  1  0.24648924  0.57890348  0.10863659  1
  B  B10  1  0.57890348  0.10863659  0.24648924  1
  B  B11  1  0.81931457  0.25024918  0.68022975  1
  B  B12  1  0.07890348  0.74648924  0.60863659  1
  B  B13  1  0.60863659  0.07890348  0.74648924  1
  B  B14  1  0.92079479  0.25327757  0.39138502  1
  B  B15  1  0.25327757  0.39138502  0.92079479  1
  B  B16  1  0.39138502  0.92079479  0.25327757  1
  B  B17  1  0.89138502  0.75327757  0.42079479  1
  B  B18  1  0.75327757  0.42079479  0.89138502  1
  B  B19  1  0.42079479  0.89138502  0.75327757  1
  B  B20  1  0.68022975  0.81931457  0.25024918  1
  B  B21  1  0.18022975  0.75024918  0.31931457  1
  O  O22  1  0.76098004  0.75857503  0.10066531  1
  O  O23  1  0.75857503  0.10066531  0.76098004  1
  O  O24  1  0.48839753  0.20267175  0.72641608  1
  O  O25  1  0.72641608  0.48839753  0.20267175  1
  O  O26  1  0.10066531  0.76098004  0.75857503  1
  O  O27  1  0.70267175  0.98839753  0.22641608  1
  O  O28  1  0.22641608  0.70267175  0.98839753  1
  O  O29  1  0.98839753  0.22641608  0.70267175  1
  O  O30  1  0.23867388  0.24112985  0.89997470  1
  O  O31  1  0.89997470  0.23867388  0.24112985  1
  O  O32  1  0.24112985  0.89997470  0.23867388  1
  O  O33  1  0.74112985  0.73867388  0.39997470  1
  O  O34  1  0.39997470  0.74112985  0.73867388  1
  O  O35  1  0.73867388  0.39997470  0.74112985  1
  O  O36  1  0.60066531  0.25857503  0.26098004  1
  O  O37  1  0.25857503  0.26098004  0.60066531  1
  O  O38  1  0.79682087  0.27408127  0.51114327  1
  O  O39  1  0.27408127  0.51114327  0.79682087  1
  O  O40  1  0.51114327  0.79682087  0.27408127  1
  O  O41  1  0.01114327  0.77408127  0.29682087  1
  O  O42  1  0.77408127  0.29682087  0.01114327  1
  O  O43  1  0.29682087  0.01114327  0.77408127  1
  O  O44  1  0.07839454  0.24947867  0.42151392  1
  O  O45  1  0.24947867  0.42151392  0.07839454  1
  O  O46  1  0.42151392  0.07839454  0.24947867  1
  O  O47  1  0.92151392  0.74947867  0.57839454  1
  O  O48  1  0.74947867  0.57839454  0.92151392  1
  O  O49  1  0.57839454  0.92151392  0.74947867  1
  O  O50  1  0.20267175  0.72641608  0.48839753  1
  O  O51  1  0.26098004  0.60066531  0.25857503  1
