# generated using pymatgen
data_NbAlNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93326101
_cell_length_b   4.93411155
_cell_length_c   7.99431600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   61.24898172
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbAlNi
_chemical_formula_sum   'Nb4 Al4 Ni4'
_cell_volume   170.60210840
_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  0.33383300  0.33384100  0.55117600  1.0
  Nb  Nb1  1  0.66272100  0.66273300  0.42889400  1.0
  Nb  Nb2  1  0.66272100  0.66273300  0.07110600  1.0
  Nb  Nb3  1  0.33383300  0.33384100  0.94882400  1.0
  Al  Al4  1  0.99235700  0.99244300  0.48744300  1.0
  Al  Al5  1  0.99235700  0.99244300  0.01255700  1.0
  Al  Al6  1  0.83445900  0.35028300  0.75000000  1.0
  Al  Al7  1  0.35028400  0.83445300  0.75000000  1.0
  Ni  Ni8  1  0.83866900  0.83864900  0.75000000  1.0
  Ni  Ni9  1  0.17428700  0.65336300  0.25000000  1.0
  Ni  Ni10  1  0.65345600  0.17420900  0.25000000  1.0
  Ni  Ni11  1  0.17102300  0.17101100  0.25000000  1.0