# generated using pymatgen
data_Ba(InAu)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68869477
_cell_length_b   7.84931373
_cell_length_c   9.27443435
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba(InAu)3
_chemical_formula_sum   'Ba2 In6 Au6'
_cell_volume   341.32734344
_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  0.73130839  1.0
  Ba  Ba1  1  0.00000000  0.50000000  0.26869161  1.0
  In  In2  1  0.00000000  0.30308713  0.88638134  1.0
  In  In3  1  0.50000000  0.19691287  0.11361866  1.0
  In  In4  1  0.00000000  0.69691287  0.88638134  1.0
  In  In5  1  0.00000000  0.00000000  0.36905859  1.0
  In  In6  1  0.50000000  0.80308713  0.11361866  1.0
  In  In7  1  0.50000000  0.50000000  0.63094141  1.0
  Au  Au8  1  0.00000000  0.72702709  0.58911933  1.0
  Au  Au9  1  0.50000000  0.77297291  0.41088067  1.0
  Au  Au10  1  0.50000000  0.50000000  0.94395367  1.0
  Au  Au11  1  0.00000000  0.00000000  0.05604633  1.0
  Au  Au12  1  0.50000000  0.22702709  0.41088067  1.0
  Au  Au13  1  0.00000000  0.27297291  0.58911933  1.0