# generated using pymatgen
data_Nb2AlB6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.03184828
_cell_length_b   3.03184828
_cell_length_c   10.27018502
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001963
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2AlB6
_chemical_formula_sum   'Nb2 Al1 B6'
_cell_volume   81.75677319
_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
  Nb  Nb0  1  -0.00000000  0.00000000  0.66566533  1.0
  Nb  Nb1  1  0.00000000  -0.00000000  0.33433467  1.0
  Al  Al2  1  0.00000000  -0.00000000  0.00000000  1.0
  B  B3  1  0.66666700  0.33333300  0.84332598  1.0
  B  B4  1  0.66666700  0.33333300  0.50000000  1.0
  B  B5  1  0.66666700  0.33333300  0.15667402  1.0
  B  B6  1  0.33333300  0.66666700  0.84332598  1.0
  B  B7  1  0.33333300  0.66666700  0.50000000  1.0
  B  B8  1  0.33333300  0.66666700  0.15667402  1.0