# generated using pymatgen
data_Ba4Al3AuI2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67306234
_cell_length_b   4.67306170
_cell_length_c   19.42055019
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001869
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba4Al3AuI2
_chemical_formula_sum   'Ba4 Al3 Au1 I2'
_cell_volume   367.27821485
_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  0.00000000  0.00000000  0.38941609  1.0
  Ba  Ba1  1  0.00000000  0.00000000  0.87659442  1.0
  Ba  Ba2  1  0.00000000  0.00000000  0.61335925  1.0
  Ba  Ba3  1  0.00000000  0.00000000  0.12111181  1.0
  Al  Al4  1  0.33333300  0.66666700  0.99711210  1.0
  Al  Al5  1  0.33333300  0.66666700  0.50205758  1.0
  Al  Al6  1  0.66666700  0.33333300  0.99990412  1.0
  Au  Au7  1  0.66666700  0.33333300  0.50099793  1.0
  I  I8  1  0.33333300  0.66666700  0.25253233  1.0
  I  I9  1  0.66666700  0.33333300  0.74691136  1.0