data_LiMnCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.83
_cell_length_b   3.83
_cell_length_c   3.83
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMnCr
_chemical_formula_sum   'Li1 Mn1 Cr1'
_cell_volume   39.65
_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
  Li  Li1  1  0.0  0.0  0.0  1.0
  Mn  Mn2  1  0.35  0.35  0.35  1.0
  Cr  Cr0  1  0.71  0.71  0.71  1.0

data_LiMnCr
_symmetry_space_group_name_H-M   R3m
_cell_length_a   3.83
_cell_length_b   3.83
_cell_length_c   9.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LiMnCr
_chemical_formula_sum   'Li3 Mn3 Cr3'
_cell_volume   118.95
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.0  1.0
  Mn  Mn1  3  0.0  0.0  0.65  1.0
  Cr  Cr2  3  0.0  0.0  0.29  1.0

Li Mn Cr
LiCrMn crystallizes in the trigonal R3m space group. Li(1) is bonded to four equivalent Cr(1) and three equivalent Mn(1) atoms to form distorted LiMn3Cr4 hexagonal pyramids that share corners with three equivalent Cr(1)Li4Mn3 hexagonal pyramids, corners with six equivalent Li(1)Mn3Cr4 hexagonal pyramids, edges with three equivalent Cr(1)Li4Mn3 hexagonal pyramids, and edges with six equivalent Li(1)Mn3Cr4 hexagonal pyramids. There are three shorter (2.24 Å) and one longer (2.75 Å) Li(1)-Cr(1) bond length. All Li(1)-Mn(1) bond lengths are 2.22 Å. Cr(1) is bonded to four equivalent Li(1) and three equivalent Mn(1) atoms to form distorted CrLi4Mn3 hexagonal pyramids that share corners with three equivalent Li(1)Mn3Cr4 hexagonal pyramids, corners with six equivalent Cr(1)Li4Mn3 hexagonal pyramids, edges with three equivalent Li(1)Mn3Cr4 hexagonal pyramids, and edges with six equivalent Cr(1)Li4Mn3 hexagonal pyramids. All Cr(1)-Mn(1) bond lengths are 2.22 Å. Mn(1) is bonded in a 6-coordinate geometry to three equivalent Li(1) and three equivalent Cr(1) atoms.