# generated using pymatgen
data_BaSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.78726579
_cell_length_b   9.02691849
_cell_length_c   11.64515377
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSi2
_chemical_formula_sum   'Ba8 Si16'
_cell_volume   713.47638813
_cell_formula_units_Z   8
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  0.34073544  0.40497926  1.0
  Ba  Ba1  1  0.75000000  0.65926456  0.59502074  1.0
  Ba  Ba2  1  0.25000000  0.84073544  0.09502074  1.0
  Ba  Ba3  1  0.75000000  0.15926456  0.90497926  1.0
  Ba  Ba4  1  0.25000000  0.51451081  0.80720257  1.0
  Ba  Ba5  1  0.75000000  0.48548919  0.19279743  1.0
  Ba  Ba6  1  0.25000000  0.01451081  0.69279743  1.0
  Ba  Ba7  1  0.75000000  0.98548919  0.30720257  1.0
  Si  Si8  1  0.92597242  0.30495896  0.64400901  1.0
  Si  Si9  1  0.42597242  0.69504104  0.35599099  1.0
  Si  Si10  1  0.57402758  0.80495896  0.85599099  1.0
  Si  Si11  1  0.07402758  0.19504104  0.14400901  1.0
  Si  Si12  1  0.07402758  0.69504104  0.35599099  1.0
  Si  Si13  1  0.57402758  0.30495896  0.64400901  1.0
  Si  Si14  1  0.42597242  0.19504104  0.14400901  1.0
  Si  Si15  1  0.92597242  0.80495896  0.85599099  1.0
  Si  Si16  1  0.75000000  0.80090233  0.03314357  1.0
  Si  Si17  1  0.25000000  0.19909767  0.96685643  1.0
  Si  Si18  1  0.75000000  0.30090233  0.46685643  1.0
  Si  Si19  1  0.25000000  0.69909767  0.53314357  1.0
  Si  Si20  1  0.75000000  0.58567040  0.91041523  1.0
  Si  Si21  1  0.25000000  0.41432960  0.08958477  1.0
  Si  Si22  1  0.75000000  0.08567040  0.58958477  1.0
  Si  Si23  1  0.25000000  0.91432960  0.41041523  1.0