data_LiLaCr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.3
_cell_length_b   10.3
_cell_length_c   10.3
_cell_angle_alpha   15.63
_cell_angle_beta   15.63
_cell_angle_gamma   15.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiLaCr2
_chemical_formula_sum   'Li1 La1 Cr2'
_cell_volume   69.07
_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  Li3  1  0.0  0.0  0.0  1.0
  La  La2  1  0.0  0.0  0.25  1.0
  Cr  Cr0  1  0.0  0.0  0.83  1.0
  Cr  Cr1  1  0.0  0.0  0.67  1.0

data_LiLaCr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.85
_cell_length_b   2.8
_cell_length_c   10.3
_cell_angle_alpha   90.0
_cell_angle_beta   99.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiLaCr2
_chemical_formula_sum   'Li2 La2 Cr4'
_cell_volume   138.14
_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
  La  La1  2  -0.0  0.0  0.75  1.0
  Cr  Cr2  2  0.0  0.0  0.17  1.0
  Cr  Cr3  2  0.0  0.0  0.33  1.0

Li La Cr Cr
Li La Cr Cr 0 2 o o - 0 1 o o o 1 1 o + - 1 1 + - o 1 1 + o - 2 3 o o o 
LiLaCr2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two LiLaCr2 clusters. Li(1) is bonded in a single-bond geometry to one La(1) and one Cr(1) atom. The Li(1)-La(1) bond length is 2.59 Å. The Li(1)-Cr(1) bond length is 1.71 Å. La(1) is bonded in a distorted single-bond geometry to one Li(1) atom. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a distorted single-bond geometry to one Li(1) and one Cr(2) atom. The Cr(1)-Cr(2) bond length is 1.69 Å. In the second Cr site, Cr(2) is bonded in a single-bond geometry to one Cr(1) atom.