# generated using pymatgen
data_Nb2(NiIr)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46345460
_cell_length_b   5.46346090
_cell_length_c   4.27025138
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99895889
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2(NiIr)3
_chemical_formula_sum   'Nb2 Ni3 Ir3'
_cell_volume   110.38849360
_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  0.33334239  0.66667396  0.75000000  1.0
  Nb  Nb1  1  0.66666451  0.33334012  0.25000000  1.0
  Ni  Ni2  1  0.16188753  0.32373752  0.25000000  1.0
  Ni  Ni3  1  0.67627686  0.83810749  0.25000000  1.0
  Ni  Ni4  1  0.16183137  0.83814427  0.25000000  1.0
  Ir  Ir5  1  0.83917922  0.67835030  0.75000000  1.0
  Ir  Ir6  1  0.32164547  0.16081998  0.75000000  1.0
  Ir  Ir7  1  0.83917365  0.16082538  0.75000000  1.0