data_LiMgCr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   3.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMgCr2
_chemical_formula_sum   'Li1 Mg1 Cr2'
_cell_volume   71.29
_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
  Mg  Mg3  1  0.33  0.33  0.0  1.0
  Cr  Cr0  1  0.33  0.0  0.65  1.0
  Cr  Cr1  1  0.0  0.33  0.65  1.0

data_LiMgCr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.58
_cell_length_b   6.58
_cell_length_c   3.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiMgCr2
_chemical_formula_sum   'Li2 Mg2 Cr4'
_cell_volume   142.57
_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
  Mg  Mg1  2  0.33  0.0  0.0  1.0
  Cr  Cr2  4  0.16  0.16  0.65  1.0

Li Mg Cr Cr
LiMgCr2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two LiMgCr2 clusters. Li(1) is bonded in a 2-coordinate geometry to two equivalent Cr(1) atoms. Both Li(1)-Cr(1) bond lengths are 1.91 Å. Mg(1) is bonded in a 2-coordinate geometry to two equivalent Cr(1) atoms. Both Mg(1)-Cr(1) bond lengths are 1.91 Å. Cr(1) is bonded in a 2-coordinate geometry to one Li(1) and one Mg(1) atom.