# generated using pymatgen
data_Nb3AlAu2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.51397127
_cell_length_b   8.51397264
_cell_length_c   8.51397055
_cell_angle_alpha   59.99999662
_cell_angle_beta   59.99999129
_cell_angle_gamma   59.99999731
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3AlAu2C
_chemical_formula_sum   'Nb12 Al4 Au8 C4'
_cell_volume   436.39677076
_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
  Nb  Nb0  1  0.82264059  0.17735941  0.82264059  1.0
  Nb  Nb1  1  0.07264059  0.42735941  0.42735941  1.0
  Nb  Nb2  1  0.42735941  0.07264059  0.07264059  1.0
  Nb  Nb3  1  0.07264059  0.42735941  0.07264059  1.0
  Nb  Nb4  1  0.42735941  0.42735941  0.07264059  1.0
  Nb  Nb5  1  0.07264059  0.07264059  0.42735941  1.0
  Nb  Nb6  1  0.82264059  0.82264059  0.17735941  1.0
  Nb  Nb7  1  0.17735941  0.82264059  0.82264059  1.0
  Nb  Nb8  1  0.82264059  0.17735941  0.17735941  1.0
  Nb  Nb9  1  0.17735941  0.17735941  0.82264059  1.0
  Nb  Nb10  1  0.42735941  0.07264059  0.42735941  1.0
  Nb  Nb11  1  0.17735941  0.82264059  0.17735941  1.0
  Al  Al12  1  0.62500000  0.62500000  0.62500000  1.0
  Al  Al13  1  0.12500000  0.62500000  0.62500000  1.0
  Al  Al14  1  0.62500000  0.12500000  0.62500000  1.0
  Al  Al15  1  0.62500000  0.62500000  0.12500000  1.0
  Au  Au16  1  0.41488486  0.41488486  0.41488486  1.0
  Au  Au17  1  0.49465657  0.83511514  0.83511514  1.0
  Au  Au18  1  0.83511514  0.49465657  0.83511514  1.0
  Au  Au19  1  0.83511514  0.83511514  0.49465657  1.0
  Au  Au20  1  0.41488486  0.75534343  0.41488486  1.0
  Au  Au21  1  0.41488486  0.41488486  0.75534343  1.0
  Au  Au22  1  0.75534343  0.41488486  0.41488486  1.0
  Au  Au23  1  0.83511514  0.83511514  0.83511514  1.0
  C  C24  1  0.12500000  0.12500000  0.12500000  1.0
  C  C25  1  0.62500000  0.12500000  0.12500000  1.0
  C  C26  1  0.12500000  0.62500000  0.12500000  1.0
  C  C27  1  0.12500000  0.12500000  0.62500000  1.0