# generated using pymatgen
data_BaLi(BS2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.85948852
_cell_length_b   8.85948852
_cell_length_c   8.42972128
_cell_angle_alpha   66.24950612
_cell_angle_beta   66.24950612
_cell_angle_gamma   60.50892768
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLi(BS2)3
_chemical_formula_sum   'Ba2 Li2 B6 S12'
_cell_volume   509.48999299
_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  0.38119600  0.13718700  0.97496700  1
  Ba  Ba1  1  0.13718700  0.38119600  0.47496700  1
  Li  Li2  1  0.70367600  0.49889000  0.93114000  1
  Li  Li3  1  0.49889000  0.70367600  0.43114000  1
  B  B4  1  0.75625600  0.84275800  0.54693600  1
  B  B5  1  0.84275800  0.75625600  0.04693600  1
  B  B6  1  0.01590400  0.02056100  0.44940800  1
  B  B7  1  0.02056100  0.01590400  0.94940800  1
  B  B8  1  0.61388700  0.24490200  0.52301700  1
  B  B9  1  0.24490200  0.61388700  0.02301700  1
  S  S10  1  0.43663500  0.42090400  0.08037400  1
  S  S11  1  0.83819100  0.24511200  0.43993700  1
  S  S12  1  0.81317700  0.98657700  0.00577200  1
  S  S13  1  0.05533800  0.56069400  0.06140300  1
  S  S14  1  0.72145800  0.64787800  0.58531500  1
  S  S15  1  0.42090400  0.43663500  0.58037400  1
  S  S16  1  0.56069400  0.05533800  0.56140300  1
  S  S17  1  0.98657700  0.81317700  0.50577200  1
  S  S18  1  0.23749300  0.00652600  0.40523200  1
  S  S19  1  0.00652600  0.23749300  0.90523200  1
  S  S20  1  0.64787800  0.72145800  0.08531500  1
  S  S21  1  0.24511200  0.83819100  0.93993700  1
