# generated using pymatgen
data_Nb12Al11Cu11Ir2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.67766872
_cell_length_b   8.68117826
_cell_length_c   8.06437406
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.23644138
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb12Al11Cu11Ir2
_chemical_formula_sum   'Nb12 Al11 Cu11 Ir2'
_cell_volume   524.85987637
_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  0.33062903  0.99657493  0.06549731  1.0
  Nb  Nb1  1  0.66738344  0.00109554  0.93429594  1.0
  Nb  Nb2  1  0.99908608  0.33365272  0.06467493  1.0
  Nb  Nb3  1  0.66738344  0.00109554  0.56570406  1.0
  Nb  Nb4  1  0.99908608  0.33365272  0.43532507  1.0
  Nb  Nb5  1  0.00266343  0.66754206  0.93358389  1.0
  Nb  Nb6  1  0.33062903  0.99657493  0.43450269  1.0
  Nb  Nb7  1  0.00266343  0.66754206  0.56641611  1.0
  Nb  Nb8  1  0.66549989  0.66500923  0.06551258  1.0
  Nb  Nb9  1  0.33519307  0.33359289  0.93465449  1.0
  Nb  Nb10  1  0.33519307  0.33359289  0.56534551  1.0
  Nb  Nb11  1  0.66549989  0.66500923  0.43448742  1.0
  Al  Al12  1  0.15900004  0.65821859  0.25000000  1.0
  Al  Al13  1  0.33959641  0.66588569  0.50756096  1.0
  Al  Al14  1  0.66665594  0.33319290  0.49990579  1.0
  Al  Al15  1  0.66665594  0.33319290  0.00009421  1.0
  Al  Al16  1  0.33959641  0.66588569  0.99243904  1.0
  Al  Al17  1  0.18036774  0.00121653  0.75000000  1.0
  Al  Al18  1  0.81778607  0.00111965  0.25000000  1.0
  Al  Al19  1  0.00096311  0.18133169  0.75000000  1.0
  Al  Al20  1  0.99236638  0.82399804  0.25000000  1.0
  Al  Al21  1  0.82180567  0.82014657  0.75000000  1.0
  Al  Al22  1  0.17923759  0.18183681  0.25000000  1.0
  Cu  Cu23  1  0.16355280  0.49801202  0.75000000  1.0
  Cu  Cu24  1  0.83479046  0.50277836  0.25000000  1.0
  Cu  Cu25  1  0.50482512  0.66452344  0.75000000  1.0
  Cu  Cu26  1  0.49872410  0.16407496  0.75000000  1.0
  Cu  Cu27  1  0.49718724  0.33349852  0.25000000  1.0
  Cu  Cu28  1  0.49819778  0.83466524  0.25000000  1.0
  Cu  Cu29  1  0.33599878  0.83858559  0.75000000  1.0
  Cu  Cu30  1  0.66675176  0.50154682  0.75000000  1.0
  Cu  Cu31  1  0.66279216  0.16295311  0.25000000  1.0
  Cu  Cu32  1  0.33609129  0.50026528  0.25000000  1.0
  Cu  Cu33  1  0.83649164  0.33447852  0.75000000  1.0
  Ir  Ir34  1  0.99982736  0.00183016  0.50041647  1.0
  Ir  Ir35  1  0.99982736  0.00183016  0.99958353  1.0