# generated using pymatgen
data_NbTe4Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.80783891
_cell_length_b   12.67967275
_cell_length_c   13.91601961
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbTe4Ir
_chemical_formula_sum   'Nb4 Te16 Ir4'
_cell_volume   671.89536380
_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  0.00000000  0.05436548  0.00508242  1.0
  Nb  Nb1  1  0.50000000  0.94563452  0.50508242  1.0
  Nb  Nb2  1  -0.00000000  0.26854452  0.49071467  1.0
  Nb  Nb3  1  0.50000000  0.73145548  0.99071467  1.0
  Te  Te4  1  -0.00000000  0.06524854  0.39389388  1.0
  Te  Te5  1  0.50000000  0.93475146  0.89389388  1.0
  Te  Te6  1  -0.00000000  0.19483585  0.86325311  1.0
  Te  Te7  1  0.50000000  0.80516415  0.36325311  1.0
  Te  Te8  1  0.00000000  0.34775424  0.09174152  1.0
  Te  Te9  1  0.50000000  0.65224576  0.59174152  1.0
  Te  Te10  1  -0.00000000  0.41206065  0.62989996  1.0
  Te  Te11  1  0.50000000  0.58793935  0.12989996  1.0
  Te  Te12  1  -0.00000000  0.56402391  0.40094511  1.0
  Te  Te13  1  0.50000000  0.43597609  0.90094511  1.0
  Te  Te14  1  0.00000000  0.67519767  0.85454482  1.0
  Te  Te15  1  0.50000000  0.32480233  0.35454482  1.0
  Te  Te16  1  0.00000000  0.85028695  0.10356446  1.0
  Te  Te17  1  0.50000000  0.14971305  0.60356446  1.0
  Te  Te18  1  0.00000000  0.89036562  0.64121724  1.0
  Te  Te19  1  0.50000000  0.10963438  0.14121724  1.0
  Ir  Ir20  1  0.00000000  0.53474732  -0.00052098  1.0
  Ir  Ir21  1  0.50000000  0.46525268  0.49947902  1.0
  Ir  Ir22  1  0.00000000  0.75142330  0.49386278  1.0
  Ir  Ir23  1  0.50000000  0.24857670  0.99386278  1.0