# generated using pymatgen
data_Ba6Sn8PI
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.22323002
_cell_length_b   9.22322893
_cell_length_c   9.34768650
_cell_angle_alpha   119.56054581
_cell_angle_beta   119.56053700
_cell_angle_gamma   90.00000372
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba6Sn8PI
_chemical_formula_sum   'Ba6 Sn8 P1 I1'
_cell_volume   569.67119183
_cell_formula_units_Z   1
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  0.26645683  0.26645683  0.53291367  1.0
  Ba  Ba1  1  0.73354317  0.73354317  0.46708633  1.0
  Ba  Ba2  1  0.64995284  0.18540842  1.00000000  1.0
  Ba  Ba3  1  0.35004716  0.81459158  0.00000000  1.0
  Ba  Ba4  1  0.81459158  0.64995284  0.00000000  1.0
  Ba  Ba5  1  0.18540842  0.35004716  1.00000000  1.0
  Sn  Sn6  1  0.33200619  0.83647038  0.39015140  1.0
  Sn  Sn7  1  0.66799381  0.16352962  0.60984860  1.0
  Sn  Sn8  1  0.05814621  0.55368202  0.39015140  1.0
  Sn  Sn9  1  0.55368202  0.33200619  0.39015140  1.0
  Sn  Sn10  1  0.16352962  0.94185379  0.60984860  1.0
  Sn  Sn11  1  0.94185379  0.44631798  0.60984860  1.0
  Sn  Sn12  1  0.44631798  0.66799381  0.60984860  1.0
  Sn  Sn13  1  0.83647038  0.05814621  0.39015140  1.0
  P  P14  1  0.50000000  0.50000000  0.00000000  1.0
  I  I15  1  0.00000000  0.00000000  0.00000000  1.0