# generated using pymatgen
data_Ba2H6Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.84371004
_cell_length_b   7.84370988
_cell_length_c   6.06970196
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   134.45221711
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2H6Au
_chemical_formula_sum   'Ba4 H12 Au2'
_cell_volume   266.56805139
_cell_formula_units_Z   2
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  0.35582585  0.64417415  0.00000000  1.0
  Ba  Ba1  1  0.85582585  0.14417415  0.50000000  1.0
  Ba  Ba2  1  0.64417415  0.35582585  0.00000000  1.0
  Ba  Ba3  1  0.14417415  0.85582585  0.50000000  1.0
  H  H4  1  0.00079964  0.50079964  0.25000000  1.0
  H  H5  1  0.49920036  0.99920036  0.75000000  1.0
  H  H6  1  0.99920036  0.49920036  0.75000000  1.0
  H  H7  1  0.50079964  0.00079964  0.25000000  1.0
  H  H8  1  0.11622604  0.88377396  0.00000000  1.0
  H  H9  1  0.61622604  0.38377396  0.50000000  1.0
  H  H10  1  0.88377396  0.11622604  0.00000000  1.0
  H  H11  1  0.38377396  0.61622604  0.50000000  1.0
  H  H12  1  0.79232094  0.79232094  0.20559696  1.0
  H  H13  1  0.20767906  0.20767906  0.79440304  1.0
  H  H14  1  0.70767906  0.70767906  0.70559696  1.0
  H  H15  1  0.29232094  0.29232094  0.29440304  1.0
  Au  Au16  1  0.00000000  0.00000000  0.00000000  1.0
  Au  Au17  1  0.50000000  0.50000000  0.50000000  1.0