data_YZrIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.49
_cell_length_b   3.49
_cell_length_c   8.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZrIn2
_chemical_formula_sum   'Y1 Zr1 In2'
_cell_volume   102.72
_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
  Y  Y2  1  0.0  0.0  0.24  1.0
  Zr  Zr3  1  0.74  0.74  0.52  1.0
  In  In0  1  0.0  0.0  0.43  1.0
  In  In1  1  0.74  0.74  0.96  1.0

data_YZrIn2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   8.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YZrIn2
_chemical_formula_sum   'Y2 Zr2 In4'
_cell_volume   205.44
_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
  Y  Y0  2  0.0  0.0  0.24  1.0
  Zr  Zr1  2  0.24  0.5  0.52  1.0
  In  In2  2  0.0  0.0  0.43  1.0
  In  In3  2  0.24  0.5  0.96  1.0

Y Zr In In
Y Zr In In 0 2 o o o 0 3 o - - 0 3 - o - 0 3 - - - 1 2 + + o 1 3 o o o 3 3 + o o 3 3 o + o 
YZrIn2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two YZrIn2 clusters. Y(1) is bonded in a distorted single-bond geometry to one In(1) and one In(2) atom. The Y(1)-In(1) bond length is 1.58 Å. The Y(1)-In(2) bond length is 2.69 Å. Zr(1) is bonded in a distorted single-bond geometry to one In(1) atom. The Zr(1)-In(1) bond length is 1.48 Å. There are two inequivalent In sites. In the first In site, In(1) is bonded in a distorted bent 120 degrees geometry to one Y(1) and one Zr(1) atom. In the second In site, In(2) is bonded in a distorted single-bond geometry to one Y(1) atom.