# generated using pymatgen
data_NbAl6Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.81829343
_cell_length_b   3.81829343
_cell_length_c   8.31528468
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbAl6Cr
_chemical_formula_sum   'Nb1 Al6 Cr1'
_cell_volume   121.23156834
_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  0.00000000  1.0
  Al  Al1  1  0.50000000  0.50000000  0.00000000  1.0
  Al  Al2  1  0.00000000  0.00000000  0.50000000  1.0
  Al  Al3  1  0.00000000  0.50000000  0.25941098  1.0
  Al  Al4  1  0.50000000  0.00000000  0.74058902  1.0
  Al  Al5  1  0.50000000  0.00000000  0.25941098  1.0
  Al  Al6  1  0.00000000  0.50000000  0.74058902  1.0
  Cr  Cr7  1  0.50000000  0.50000000  0.50000000  1.0