# generated using pymatgen
data_Nb3Al2AuC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.42946266
_cell_length_b   8.42946281
_cell_length_c   8.42946103
_cell_angle_alpha   59.99999537
_cell_angle_beta   59.99999477
_cell_angle_gamma   59.99999488
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3Al2AuC
_chemical_formula_sum   'Nb12 Al8 Au4 C4'
_cell_volume   423.53036280
_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  0.56941263  0.93058737  0.56941263  1.0
  Nb  Nb1  1  0.31941263  0.68058737  0.68058737  1.0
  Nb  Nb2  1  0.68058737  0.31941263  0.31941263  1.0
  Nb  Nb3  1  0.31941263  0.68058737  0.31941263  1.0
  Nb  Nb4  1  0.68058737  0.68058737  0.31941263  1.0
  Nb  Nb5  1  0.31941263  0.31941263  0.68058737  1.0
  Nb  Nb6  1  0.56941263  0.56941263  0.93058737  1.0
  Nb  Nb7  1  0.93058737  0.56941263  0.56941263  1.0
  Nb  Nb8  1  0.56941263  0.93058737  0.93058737  1.0
  Nb  Nb9  1  0.93058737  0.93058737  0.56941263  1.0
  Nb  Nb10  1  0.68058737  0.31941263  0.68058737  1.0
  Nb  Nb11  1  0.93058737  0.56941263  0.93058737  1.0
  Al  Al12  1  0.91452341  0.91452341  0.91452341  1.0
  Al  Al13  1  0.99356922  0.33547659  0.33547659  1.0
  Al  Al14  1  0.33547659  0.99356922  0.33547659  1.0
  Al  Al15  1  0.33547659  0.33547659  0.99356922  1.0
  Al  Al16  1  0.91452341  0.25643078  0.91452341  1.0
  Al  Al17  1  0.91452341  0.91452341  0.25643078  1.0
  Al  Al18  1  0.25643078  0.91452341  0.91452341  1.0
  Al  Al19  1  0.33547659  0.33547659  0.33547659  1.0
  Au  Au20  1  0.12500000  0.12500000  0.12500000  1.0
  Au  Au21  1  0.62500000  0.12500000  0.12500000  1.0
  Au  Au22  1  0.12500000  0.62500000  0.12500000  1.0
  Au  Au23  1  0.12500000  0.12500000  0.62500000  1.0
  C  C24  1  0.62500000  0.62500000  0.62500000  1.0
  C  C25  1  0.12500000  0.62500000  0.62500000  1.0
  C  C26  1  0.62500000  0.12500000  0.62500000  1.0
  C  C27  1  0.62500000  0.62500000  0.12500000  1.0