[CIF]
data_NiB2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.70306167
_cell_length_b   2.70306167
_cell_length_c   5.02060496
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiB2Ir
_chemical_formula_sum   'Ni1 B2 Ir1'
_cell_volume   36.68326284
_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  1.35153083  1.35153083  1.08480417  1
  B  B1  1  1.35153083  1.35153083  3.93580079  1
  Ir  Ir2  1  0.00000000  0.00000000  2.51030248  1
  Ni  Ni3  1  0.00000000  0.00000000  0.00000000  1
[/CIF]
