# generated using pymatgen
data_Ta3Al2BAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.44111541
_cell_length_b   8.44111535
_cell_length_c   8.44111434
_cell_angle_alpha   60.00000395
_cell_angle_beta   60.00000420
_cell_angle_gamma   60.00000477
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta3Al2BAu
_chemical_formula_sum   'Ta12 Al8 B4 Au4'
_cell_volume   425.28934395
_cell_formula_units_Z   4
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
  Ta  Ta0  1  0.56799351  0.93200649  0.56799351  1.0
  Ta  Ta1  1  0.31799351  0.68200649  0.68200649  1.0
  Ta  Ta2  1  0.68200649  0.31799351  0.31799351  1.0
  Ta  Ta3  1  0.31799351  0.68200649  0.31799351  1.0
  Ta  Ta4  1  0.68200649  0.68200649  0.31799351  1.0
  Ta  Ta5  1  0.31799351  0.31799351  0.68200649  1.0
  Ta  Ta6  1  0.56799351  0.56799351  0.93200649  1.0
  Ta  Ta7  1  0.93200649  0.56799351  0.56799351  1.0
  Ta  Ta8  1  0.56799351  0.93200649  0.93200649  1.0
  Ta  Ta9  1  0.93200649  0.93200649  0.56799351  1.0
  Ta  Ta10  1  0.68200649  0.31799351  0.68200649  1.0
  Ta  Ta11  1  0.93200649  0.56799351  0.93200649  1.0
  Al  Al12  1  0.91349248  0.91349248  0.91349248  1.0
  Al  Al13  1  0.99047745  0.33650752  0.33650752  1.0
  Al  Al14  1  0.33650752  0.99047745  0.33650752  1.0
  Al  Al15  1  0.33650752  0.33650752  0.99047745  1.0
  Al  Al16  1  0.91349248  0.25952255  0.91349248  1.0
  Al  Al17  1  0.91349248  0.91349248  0.25952255  1.0
  Al  Al18  1  0.25952255  0.91349248  0.91349248  1.0
  Al  Al19  1  0.33650752  0.33650752  0.33650752  1.0
  B  B20  1  0.62500000  0.62500000  0.62500000  1.0
  B  B21  1  0.12500000  0.62500000  0.62500000  1.0
  B  B22  1  0.62500000  0.12500000  0.62500000  1.0
  B  B23  1  0.62500000  0.62500000  0.12500000  1.0
  Au  Au24  1  0.12500000  0.12500000  0.12500000  1.0
  Au  Au25  1  0.62500000  0.12500000  0.12500000  1.0
  Au  Au26  1  0.12500000  0.62500000  0.12500000  1.0
  Au  Au27  1  0.12500000  0.12500000  0.62500000  1.0