data_LiYIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   4.97
_cell_angle_alpha   131.3
_cell_angle_beta   131.3
_cell_angle_gamma   71.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiYIr2
_chemical_formula_sum   'Li1 Y1 Ir2'
_cell_volume   67.94
_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
  Li  Li2  1  0.0  0.0  0.0  1.0
  Y  Y3  1  0.0  0.0  0.04  1.0
  Ir  Ir0  1  0.0  0.05  0.02  1.0
  Ir  Ir1  1  0.05  0.0  0.02  1.0

data_LiYIr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.8
_cell_length_b   5.8
_cell_length_c   4.97
_cell_angle_alpha   90.0
_cell_angle_beta   125.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiYIr2
_chemical_formula_sum   'Li2 Y2 Ir4'
_cell_volume   135.89
_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
  Li  Li0  2  0.0  0.0  0.0  1.0
  Y  Y1  2  0.46  0.5  0.96  1.0
  Ir  Ir2  4  0.01  0.03  0.03  1.0

Li Y Ir Ir
Li Y Ir Ir 0 2 o o o 0 3 o o o 0 1 o o o 
LiYIr2 is Indium-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two LiYIr2 clusters. Li(1) is bonded in a trigonal non-coplanar geometry to one Y(1) and two equivalent Ir(1) atoms. The Li(1)-Y(1) bond length is 0.20 Å. Both Li(1)-Ir(1) bond lengths are 0.20 Å. Y(1) is bonded in a single-bond geometry to one Li(1) atom. Ir(1) is bonded in a single-bond geometry to one Li(1) atom.