# generated using pymatgen
data_NbSiIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.79800648
_cell_length_b   6.45416533
_cell_length_c   7.29845563
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSiIr
_chemical_formula_sum   'Nb4 Si4 Ir4'
_cell_volume   178.90676367
_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  0.75000000  0.52353003  0.17183562  1.0
  Nb  Nb1  1  0.25000000  0.97646997  0.67183562  1.0
  Nb  Nb2  1  0.75000000  0.02353103  0.32816438  1.0
  Nb  Nb3  1  0.25000000  0.47646997  0.82816438  1.0
  Si  Si4  1  0.25000000  0.22950320  0.12419249  1.0
  Si  Si5  1  0.25000000  0.72950320  0.37580751  1.0
  Si  Si6  1  0.75000000  0.77049680  0.87580751  1.0
  Si  Si7  1  0.75000000  0.27049680  0.62419249  1.0
  Ir  Ir8  1  0.25000000  0.85488781  0.06411655  1.0
  Ir  Ir9  1  0.25000000  0.35488781  0.43588345  1.0
  Ir  Ir10  1  0.75000000  0.64511219  0.56411655  1.0
  Ir  Ir11  1  0.75000000  0.14511219  0.93588345  1.0