data_LiCr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.29
_cell_length_b   7.29
_cell_length_c   7.29
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCr2
_chemical_formula_sum   'Li8 Cr16'
_cell_volume   273.73
_cell_formula_units_Z   8
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  Li16  1  0.82  0.82  0.49  1.0
  Li  Li17  1  0.49  0.49  0.49  1.0
  Li  Li18  1  0.82  0.49  0.82  1.0
  Li  Li19  1  0.49  0.82  0.82  1.0
  Li  Li20  1  0.07  0.07  0.39  1.0
  Li  Li21  1  0.39  0.39  0.39  1.0
  Li  Li22  1  0.07  0.39  0.07  1.0
  Li  Li23  1  0.39  0.07  0.07  1.0
  Cr  Cr0  1  0.29  0.87  0.87  1.0
  Cr  Cr1  1  0.87  0.29  0.87  1.0
  Cr  Cr2  1  0.29  0.29  0.29  1.0
  Cr  Cr3  1  0.87  0.87  0.29  1.0
  Cr  Cr4  1  0.73  0.73  0.69  1.0
  Cr  Cr5  1  0.77  0.73  0.73  1.0
  Cr  Cr6  1  0.73  0.77  0.73  1.0
  Cr  Cr7  1  0.73  0.69  0.73  1.0
  Cr  Cr8  1  0.69  0.73  0.73  1.0
  Cr  Cr9  1  0.73  0.73  0.77  1.0
  Cr  Cr10  1  0.15  0.15  0.2  1.0
  Cr  Cr11  1  0.11  0.15  0.15  1.0
  Cr  Cr12  1  0.15  0.11  0.15  1.0
  Cr  Cr13  1  0.15  0.2  0.15  1.0
  Cr  Cr14  1  0.2  0.15  0.15  1.0
  Cr  Cr15  1  0.15  0.15  0.11  1.0

data_LiCr2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.29
_cell_length_b   7.29
_cell_length_c   17.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LiCr2
_chemical_formula_sum   'Li24 Cr48'
_cell_volume   821.2
_cell_formula_units_Z   24
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  9  0.11  0.22  0.82  1.0
  Li  Li1  9  0.22  0.11  0.29  1.0
  Li  Li2  3  0.0  0.0  0.51  1.0
  Li  Li3  3  0.0  0.0  0.61  1.0
  Cr  Cr4  9  0.01  0.03  0.25  1.0
  Cr  Cr5  9  0.01  0.03  0.83  1.0
  Cr  Cr6  9  0.03  0.01  0.28  1.0
  Cr  Cr7  9  0.03  0.01  0.86  1.0
  Cr  Cr8  9  0.05  0.53  0.66  1.0
  Cr  Cr9  3  0.0  0.0  0.71  1.0

Li Li Li Li Li Li Li Li Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr
Li Li Li Li Li Li Li Li Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr 0 16 o o o 0 15 o o o 0 14 o o o 0 13 o o o 0 12 o o o 0 11 o o o 1 5 o o o 2 9 o o o 2 16 o o o 2 15 o o o 2 12 o o o 2 17 o o o 2 13 o o o 3 8 o o o 3 16 o o o 3 15 o o o 3 12 o o o 3 17 o o o 3 14 o o o 4 22 o o o 4 21 o o o 4 20 o o o 4 19 o o o 4 18 o o o 4 10 o o o 5 10 o o o 6 19 o o o 6 23 o o o 6 22 o o o 6 21 o o o 6 18 o o o 6 10 o o o 7 23 o o o 7 20 o o o 7 22 o o o 7 21 o o o 7 18 o o o 7 10 o o o 10 22 o o o 10 21 o o o 10 18 o o o 12 15 o o o 12 16 o o o 13 17 o o o 13 14 o o o 14 17 o o o 15 16 o o o 18 22 o o o 18 21 o o o 19 20 o o o 19 23 o o o 20 23 o o o 21 22 o o o 