data_Y2CrCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.42
_cell_length_b   3.42
_cell_length_c   9.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2CrCl
_chemical_formula_sum   'Y2 Cr1 Cl1'
_cell_volume   111.65
_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  0.46  1.0
  Y  Y3  1  0.71  0.71  0.66  1.0
  Cr  Cr1  1  0.71  0.71  0.47  1.0
  Cl  Cl0  1  0.0  0.0  0.28  1.0

data_Y2CrCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   9.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Y2CrCl
_chemical_formula_sum   'Y4 Cr2 Cl2'
_cell_volume   223.29
_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  0.46  1.0
  Y  Y1  2  0.21  0.5  0.66  1.0
  Cr  Cr2  2  0.21  0.5  0.47  1.0
  Cl  Cl3  2  0.0  0.0  0.28  1.0

Y Y Cr Cl
Y Y Cr Cl 0 2 - - o 0 3 o o o 1 2 o o o 
Y2CrCl crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Y2CrCl clusters. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a distorted L-shaped geometry to one Cr(1) and one Cl(1) atom. The Y(1)-Cr(1) bond length is 1.41 Å. The Y(1)-Cl(1) bond length is 1.71 Å. In the second Y site, Y(2) is bonded in a single-bond geometry to one Cr(1) atom. The Y(2)-Cr(1) bond length is 1.89 Å. Cr(1) is bonded in a 2-coordinate geometry to one Y(1) and one Y(2) atom. Cl(1) is bonded in a single-bond geometry to one Y(1) atom.