# generated using pymatgen
data_NbAl7(IrRu)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.03709597
_cell_length_b   4.26158242
_cell_length_c   8.51747665
_cell_angle_alpha   90.00000000
_cell_angle_beta   89.99978061
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbAl7(IrRu)4
_chemical_formula_sum   'Nb1 Al7 Ir4 Ru4'
_cell_volume   219.13407942
_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  0.99853563  0.74999900  0.12501397  1.0
  Al  Al1  1  0.49877466  0.74999900  0.12500707  1.0
  Al  Al2  1  0.00036363  0.25000100  0.38026063  1.0
  Al  Al3  1  0.50000700  0.25000100  0.37953560  1.0
  Al  Al4  1  0.50068458  0.74999900  0.62499686  1.0
  Al  Al5  1  0.00118645  0.74999900  0.62499307  1.0
  Al  Al6  1  0.50000638  0.25000100  0.87046059  1.0
  Al  Al7  1  0.00036806  0.25000100  0.86973281  1.0
  Ir  Ir8  1  0.73981805  0.25000100  0.12500750  1.0
  Ir  Ir9  1  0.25430011  0.74999900  0.37786117  1.0
  Ir  Ir10  1  0.75107783  0.25000100  0.62499088  1.0
  Ir  Ir11  1  0.25429205  0.74999900  0.87214039  1.0
  Ru  Ru12  1  0.25488057  0.25000100  0.12502692  1.0
  Ru  Ru13  1  0.74682053  0.74999900  0.37680086  1.0
  Ru  Ru14  1  0.25205403  0.25000100  0.62497099  1.0
  Ru  Ru15  1  0.74682743  0.74999900  0.87319868  1.0