# generated using pymatgen
data_Nb2Al3Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18660926
_cell_length_b   5.18660926
_cell_length_c   7.99022721
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999081
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2Al3Ir
_chemical_formula_sum   'Nb4 Al6 Ir2'
_cell_volume   186.14735218
_cell_formula_units_Z   2
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  0.33333300  0.66666700  0.42716835  1.0
  Nb  Nb1  1  0.66666700  0.33333300  0.57283165  1.0
  Nb  Nb2  1  0.66666700  0.33333300  0.92716835  1.0
  Nb  Nb3  1  0.33333300  0.66666700  0.07283165  1.0
  Al  Al4  1  0.83083797  0.16916203  0.25000000  1.0
  Al  Al5  1  0.83083797  0.66167694  0.25000000  1.0
  Al  Al6  1  0.33832306  0.16916203  0.25000000  1.0
  Al  Al7  1  0.16916203  0.83083797  0.75000000  1.0
  Al  Al8  1  0.16916203  0.33832306  0.75000000  1.0
  Al  Al9  1  0.66167694  0.83083797  0.75000000  1.0
  Ir  Ir10  1  0.00000000  -0.00000000  0.50000000  1.0
  Ir  Ir11  1  0.00000000  -0.00000000  -0.00000000  1.0