# generated using pymatgen
data_BaIn3Hg2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93170197
_cell_length_b   7.74918683
_cell_length_c   9.58294203
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaIn3Hg2Au
_chemical_formula_sum   'Ba2 In6 Hg4 Au2'
_cell_volume   366.22822851
_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  0.50000000  0.00000000  0.75494512  1.0
  Ba  Ba1  1  0.00000000  0.50000000  0.24505488  1.0
  In  In2  1  0.00000000  0.30300253  0.89183617  1.0
  In  In3  1  0.50000000  0.19699747  0.10816383  1.0
  In  In4  1  0.00000000  0.69699747  0.89183617  1.0
  In  In5  1  0.00000000  0.00000000  0.35461900  1.0
  In  In6  1  0.50000000  0.80300253  0.10816383  1.0
  In  In7  1  0.50000000  0.50000000  0.64538100  1.0
  Hg  Hg8  1  0.00000000  0.73886998  0.59245758  1.0
  Hg  Hg9  1  0.50000000  0.76113002  0.40754242  1.0
  Hg  Hg10  1  0.50000000  0.23886998  0.40754242  1.0
  Hg  Hg11  1  0.00000000  0.26113002  0.59245758  1.0
  Au  Au12  1  0.50000000  0.50000000  0.93963277  1.0
  Au  Au13  1  0.00000000  0.00000000  0.06036723  1.0