# generated using pymatgen
data_NbGeIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.89522338
_cell_length_b   6.50627953
_cell_length_c   7.42631907
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbGeIr
_chemical_formula_sum   'Nb4 Ge4 Ir4'
_cell_volume   188.20826489
_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  0.52561644  0.17746823  1.0
  Nb  Nb1  1  0.25000000  0.97438356  0.67746823  1.0
  Nb  Nb2  1  0.75000000  0.02561644  0.32253177  1.0
  Nb  Nb3  1  0.25000000  0.47438356  0.82253177  1.0
  Ge  Ge4  1  0.25000000  0.23900060  0.12331252  1.0
  Ge  Ge5  1  0.25000000  0.73900060  0.37668748  1.0
  Ge  Ge6  1  0.75000000  0.76099940  0.87668748  1.0
  Ge  Ge7  1  0.75000000  0.26099940  0.62331252  1.0
  Ir  Ir8  1  0.25000000  0.85662610  0.06234739  1.0
  Ir  Ir9  1  0.25000000  0.35662610  0.43765261  1.0
  Ir  Ir10  1  0.75000000  0.64337390  0.56234739  1.0
  Ir  Ir11  1  0.75000000  0.14337390  0.93765261  1.0