# generated using pymatgen
data_Ba6Sn8AsCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.16483319
_cell_length_b   9.16483471
_cell_length_c   9.25027123
_cell_angle_alpha   119.69493360
_cell_angle_beta   119.69493938
_cell_angle_gamma   90.00000910
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba6Sn8AsCl
_chemical_formula_sum   'Ba6 Sn8 As1 Cl1'
_cell_volume   554.42790312
_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  0.24741245  0.24741245  0.49482490  1.0
  Ba  Ba1  1  0.75258755  0.75258755  0.50517510  1.0
  Ba  Ba2  1  0.67767607  0.16062233  0.00000000  1.0
  Ba  Ba3  1  0.32232393  0.83937767  1.00000000  1.0
  Ba  Ba4  1  0.83937767  0.67767607  1.00000000  1.0
  Ba  Ba5  1  0.16062233  0.32232393  0.00000000  1.0
  Sn  Sn6  1  0.33501911  0.83227474  0.38831561  1.0
  Sn  Sn7  1  0.66498089  0.16772526  0.61168439  1.0
  Sn  Sn8  1  0.05329650  0.55604187  0.38831561  1.0
  Sn  Sn9  1  0.55604187  0.33501911  0.38831561  1.0
  Sn  Sn10  1  0.16772526  0.94670350  0.61168439  1.0
  Sn  Sn11  1  0.94670350  0.44395813  0.61168439  1.0
  Sn  Sn12  1  0.44395813  0.66498089  0.61168439  1.0
  Sn  Sn13  1  0.83227474  0.05329650  0.38831561  1.0
  As  As14  1  0.00000000  0.00000000  0.00000000  1.0
  Cl  Cl15  1  0.50000000  0.50000000  0.00000000  1.0