[CIF]
data_NbB2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.97101532
_cell_length_b   3.97101532
_cell_length_c   3.97101532
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbB2Ir
_chemical_formula_sum   'Nb1 B2 Ir1'
_cell_volume   44.27817263
_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
  B  B0  1  1.40396593  1.40396593  1.40396593  1
  B  B1  1  4.21189779  4.21189779  4.21189779  1
  Ir  Ir2  1  2.80793186  2.80793186  2.80793186  1
  Nb  Nb3  1  0.00000000  0.00000000  0.00000000  1
[/CIF]
