# generated using pymatgen
data_BaLi2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66207222
_cell_length_b   6.34743322
_cell_length_c   6.68787476
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLi2Si
_chemical_formula_sum   'Ba2 Li4 Si2'
_cell_volume   197.90887453
_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  0.25000000  0.09391693  0.25000000  1
  Ba  Ba1  1  0.75000000  0.90608307  0.75000000  1
  Li  Li2  1  0.25000000  0.58695520  0.04851553  1
  Li  Li3  1  0.75000000  0.41304480  0.95148447  1
  Li  Li4  1  0.75000000  0.41304480  0.54851553  1
  Li  Li5  1  0.25000000  0.58695520  0.45148447  1
  Si  Si6  1  0.75000000  0.69121656  0.25000000  1
  Si  Si7  1  0.25000000  0.30878344  0.75000000  1
