# generated using pymatgen
data_Ba6Sn8AsI
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.23933851
_cell_length_b   9.23933839
_cell_length_c   9.36592053
_cell_angle_alpha   119.55392921
_cell_angle_beta   119.55392216
_cell_angle_gamma   90.00000215
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba6Sn8AsI
_chemical_formula_sum   'Ba6 Sn8 As1 I1'
_cell_volume   572.88856593
_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  0.23690652  0.23690652  0.47381304  1.0
  Ba  Ba1  1  0.76309348  0.76309348  0.52618696  1.0
  Ba  Ba2  1  0.68121499  0.15212869  1.00000000  1.0
  Ba  Ba3  1  0.31878501  0.84787131  0.00000000  1.0
  Ba  Ba4  1  0.84787131  0.68121499  0.00000000  1.0
  Ba  Ba5  1  0.15212869  0.31878501  1.00000000  1.0
  Sn  Sn6  1  0.33609106  0.83242549  0.39006828  1.0
  Sn  Sn7  1  0.66390894  0.16757451  0.60993172  1.0
  Sn  Sn8  1  0.05397822  0.55764379  0.39006828  1.0
  Sn  Sn9  1  0.55764379  0.33609106  0.39006828  1.0
  Sn  Sn10  1  0.16757451  0.94602178  0.60993172  1.0
  Sn  Sn11  1  0.94602178  0.44235621  0.60993172  1.0
  Sn  Sn12  1  0.44235621  0.66390894  0.60993172  1.0
  Sn  Sn13  1  0.83242549  0.05397822  0.39006828  1.0
  As  As14  1  0.00000000  0.00000000  0.00000000  1.0
  I  I15  1  0.50000000  0.50000000  0.00000000  1.0