# generated using pymatgen
data_Ba6Sn8PAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.14115294
_cell_length_b   9.14115242
_cell_length_c   9.25626487
_cell_angle_alpha   119.58947021
_cell_angle_beta   119.58946908
_cell_angle_gamma   89.99999808
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba6Sn8PAu
_chemical_formula_sum   'Ba6 Sn8 P1 Au1'
_cell_volume   553.63649025
_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  0.23839537  0.23839537  0.47679074  1.0
  Ba  Ba1  1  0.76160463  0.76160463  0.52320926  1.0
  Ba  Ba2  1  0.68073255  0.15670886  0.00000000  1.0
  Ba  Ba3  1  0.31926745  0.84329114  1.00000000  1.0
  Ba  Ba4  1  0.84329114  0.68073255  1.00000000  1.0
  Ba  Ba5  1  0.15670886  0.31926745  0.00000000  1.0
  Sn  Sn6  1  0.33804444  0.82968490  0.38844786  1.0
  Sn  Sn7  1  0.66195556  0.17031510  0.61155214  1.0
  Sn  Sn8  1  0.05040442  0.55876396  0.38844786  1.0
  Sn  Sn9  1  0.55876396  0.33804444  0.38844786  1.0
  Sn  Sn10  1  0.17031510  0.94959558  0.61155214  1.0
  Sn  Sn11  1  0.94959558  0.44123604  0.61155214  1.0
  Sn  Sn12  1  0.44123604  0.66195556  0.61155214  1.0
  Sn  Sn13  1  0.82968490  0.05040442  0.38844786  1.0
  P  P14  1  0.00000000  0.00000000  0.00000000  1.0
  Au  Au15  1  0.50000000  0.50000000  0.00000000  1.0