# generated using pymatgen
data_Nb3Al2IrC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.32639271
_cell_length_b   8.32639306
_cell_length_c   8.32639401
_cell_angle_alpha   60.00000406
_cell_angle_beta   60.00000267
_cell_angle_gamma   60.00000090
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3Al2IrC
_chemical_formula_sum   'Nb12 Al8 Ir4 C4'
_cell_volume   408.18381872
_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  0.68752542  0.31247458  0.68752542  1.0
  Nb  Nb1  1  0.93752542  0.56247458  0.56247458  1.0
  Nb  Nb2  1  0.56247458  0.93752542  0.93752542  1.0
  Nb  Nb3  1  0.93752542  0.56247458  0.93752542  1.0
  Nb  Nb4  1  0.56247458  0.56247458  0.93752542  1.0
  Nb  Nb5  1  0.93752542  0.93752542  0.56247458  1.0
  Nb  Nb6  1  0.68752542  0.68752542  0.31247458  1.0
  Nb  Nb7  1  0.31247458  0.68752542  0.68752542  1.0
  Nb  Nb8  1  0.68752542  0.31247458  0.31247458  1.0
  Nb  Nb9  1  0.31247458  0.31247458  0.68752542  1.0
  Nb  Nb10  1  0.56247458  0.93752542  0.56247458  1.0
  Nb  Nb11  1  0.31247458  0.68752542  0.31247458  1.0
  Al  Al12  1  0.33288896  0.33288896  0.33288896  1.0
  Al  Al13  1  0.24866587  0.91711104  0.91711104  1.0
  Al  Al14  1  0.91711104  0.24866587  0.91711104  1.0
  Al  Al15  1  0.91711104  0.91711104  0.24866587  1.0
  Al  Al16  1  0.33288896  0.00133413  0.33288896  1.0
  Al  Al17  1  0.33288896  0.33288896  0.00133413  1.0
  Al  Al18  1  0.00133413  0.33288896  0.33288896  1.0
  Al  Al19  1  0.91711104  0.91711104  0.91711104  1.0
  Ir  Ir20  1  0.12500000  0.12500000  0.12500000  1.0
  Ir  Ir21  1  0.62500000  0.12500000  0.12500000  1.0
  Ir  Ir22  1  0.12500000  0.62500000  0.12500000  1.0
  Ir  Ir23  1  0.12500000  0.12500000  0.62500000  1.0
  C  C24  1  0.62500000  0.62500000  0.62500000  1.0
  C  C25  1  0.12500000  0.62500000  0.62500000  1.0
  C  C26  1  0.62500000  0.12500000  0.62500000  1.0
  C  C27  1  0.62500000  0.62500000  0.12500000  1.0