data_LiY2Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.44
_cell_length_b   3.44
_cell_length_c   7.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiY2Cr
_chemical_formula_sum   'Li1 Y2 Cr1'
_cell_volume   93.92
_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  Li1  1  0.0  0.0  0.0  1.0
  Y  Y2  1  0.72  0.72  0.32  1.0
  Y  Y3  1  0.72  0.72  0.64  1.0
  Cr  Cr0  1  0.0  0.0  0.98  1.0

data_LiY2Cr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   7.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiY2Cr
_chemical_formula_sum   'Li2 Y4 Cr2'
_cell_volume   187.84
_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  0.22  0.5  0.32  1.0
  Y  Y2  2  0.22  0.5  0.64  1.0
  Cr  Cr3  2  0.0  0.0  0.98  1.0

Li Y Y Cr
LiY2Cr crystallizes in the monoclinic Cm space group. Li(1) is bonded in a single-bond geometry to three equivalent Y(1) and one Cr(1) atom. There is one shorter (2.88 Å) and two longer (3.66 Å) Li(1)-Y(1) bond lengths. The Li(1)-Cr(1) bond length is 0.17 Å. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 8-coordinate geometry to three equivalent Li(1), one Y(2), and four equivalent Y(1) atoms. The Y(1)-Y(2) bond length is 2.56 Å. All Y(1)-Y(1) bond lengths are 3.44 Å. In the second Y site, Y(2) is bonded in a 8-coordinate geometry to one Y(1), four equivalent Y(2), and three equivalent Cr(1) atoms. All Y(2)-Y(2) bond lengths are 3.44 Å. There is one shorter (3.03 Å) and two longer (3.78 Å) Y(2)-Cr(1) bond lengths. Cr(1) is bonded in a single-bond geometry to one Li(1) and three equivalent Y(2) atoms.