# generated using pymatgen
data_BaLiBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.19515700
_cell_length_b   6.59112400
_cell_length_c   7.57737661
_cell_angle_alpha   61.62383184
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLiBO3
_chemical_formula_sum   'Ba4 Li4 B4 O12'
_cell_volume   316.17349267
_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
  Ba  Ba0  1  0.36045400  0.82492300  0.33983100  1
  Ba  Ba1  1  0.86045400  0.17507700  0.16016900  1
  Ba  Ba2  1  0.63954600  0.17507700  0.66016900  1
  Ba  Ba3  1  0.13954600  0.82492300  0.83983100  1
  Li  Li4  1  0.42701400  0.40481100  0.19679600  1
  Li  Li5  1  0.92701400  0.59518900  0.30320400  1
  Li  Li6  1  0.57298600  0.59518900  0.80320400  1
  Li  Li7  1  0.07298600  0.40481100  0.69679600  1
  B  B8  1  0.66147500  0.71247100  0.08153600  1
  B  B9  1  0.16147500  0.28752900  0.41846400  1
  B  B10  1  0.33852500  0.28752900  0.91846400  1
  B  B11  1  0.83852500  0.71247100  0.58153600  1
  O  O12  1  0.18434000  0.14372200  0.97725100  1
  O  O13  1  0.15965200  0.48322900  0.22899900  1
  O  O14  1  0.84034800  0.51677100  0.77100100  1
  O  O15  1  0.34034800  0.48322900  0.72899900  1
  O  O16  1  0.00564700  0.24269300  0.54041400  1
  O  O17  1  0.50564700  0.75730700  0.95958600  1
  O  O18  1  0.99435300  0.75730700  0.45958600  1
  O  O19  1  0.49435300  0.24269300  0.04041400  1
  O  O20  1  0.81566000  0.85627800  0.02274900  1
  O  O21  1  0.31566000  0.14372200  0.47725100  1
  O  O22  1  0.65965200  0.51677100  0.27100100  1
  O  O23  1  0.68434000  0.85627800  0.52274900  1
