data_LaZrIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.45
_cell_length_b   4.45
_cell_length_c   4.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaZrIr
_chemical_formula_sum   'La1 Zr1 Ir1'
_cell_volume   77.72
_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  0.57  0.38  1.0
  Zr  Zr2  1  0.0  0.0  0.59  1.0
  Ir  Ir0  1  0.22  0.28  0.09  1.0

data_LaZrIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.45
_cell_length_b   4.45
_cell_length_c   4.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaZrIr
_chemical_formula_sum   'La1 Zr1 Ir1'
_cell_volume   77.72
_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  La0  1  0.0  0.57  0.38  1.0
  Zr  Zr1  1  0.0  0.0  0.59  1.0
  Ir  Ir2  1  0.22  0.28  0.09  1.0

La Zr Ir
La Zr Ir 0 1 o + o 0 1 o o o 0 2 o o o 1 2 o o o 1 2 o o + 
LaZrIr crystallizes in the triclinic P1 space group. La(1) is bonded in a 5-coordinate geometry to two equivalent Zr(1) and three equivalent Ir(1) atoms. There is one shorter (2.15 Å) and one longer (2.71 Å) La(1)-Zr(1) bond length. There are a spread of La(1)-Ir(1) bond distances ranging from 2.36-3.29 Å. Zr(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent La(1) and two equivalent Ir(1) atoms. There is one shorter (2.54 Å) and one longer (2.55 Å) Zr(1)-Ir(1) bond length. Ir(1) is bonded in a 5-coordinate geometry to three equivalent La(1) and two equivalent Zr(1) atoms.