data_LaNbIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.53
_cell_length_b   6.53
_cell_length_c   6.53
_cell_angle_alpha   150.59
_cell_angle_beta   150.59
_cell_angle_gamma   42.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaNbIr
_chemical_formula_sum   'La1 Nb1 Ir1'
_cell_volume   66.98
_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
  La  La1  1  0.0  0.0  0.11  1.0
  Nb  Nb2  1  0.0  0.0  0.68  1.0
  Ir  Ir0  1  0.0  0.0  0.4  1.0

data_LaNbIr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   6.53
_cell_angle_alpha   90.0
_cell_angle_beta   111.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaNbIr
_chemical_formula_sum   'La2 Nb2 Ir2'
_cell_volume   133.96
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  La  La0  2  0.11  0.0  0.11  1.0
  Nb  Nb1  2  0.18  0.5  0.68  1.0
  Ir  Ir2  2  0.4  0.0  0.4  1.0

La Nb Ir
La Nb Ir 0 2 o o o 1 2 o o o 
LaNbIr crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two LaNbIr clusters. La(1) is bonded in a distorted single-bond geometry to one Ir(1) atom. The La(1)-Ir(1) bond length is 1.89 Å. Nb(1) is bonded in a distorted single-bond geometry to one Ir(1) atom. The Nb(1)-Ir(1) bond length is 1.81 Å. Ir(1) is bonded in a linear geometry to one La(1) and one Nb(1) atom.