data_LiCo6Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.24
_cell_length_b   6.24
_cell_length_c   10.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCo6Sb
_chemical_formula_sum   'Li4 Co24 Sb4'
_cell_volume   376.01
_cell_formula_units_Z   4
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  Li24  1  0.55  0.54  0.0  1.0
  Li  Li25  1  0.55  0.46  0.0  1.0
  Li  Li26  1  0.0  0.0  0.47  1.0
  Li  Li27  1  0.0  0.0  0.86  1.0
  Co  Co0  1  0.55  0.63  0.48  1.0
  Co  Co1  1  0.41  0.75  0.8  1.0
  Co  Co2  1  0.69  0.25  0.8  1.0
  Co  Co3  1  0.55  0.37  0.48  1.0
  Co  Co4  1  0.69  0.75  0.8  1.0
  Co  Co5  1  0.41  0.25  0.8  1.0
  Co  Co6  1  0.55  0.0  0.0  1.0
  Co  Co7  1  0.73  0.33  0.2  1.0
  Co  Co8  1  0.73  0.67  0.2  1.0
  Co  Co9  1  0.55  0.63  0.84  1.0
  Co  Co10  1  0.37  0.67  0.13  1.0
  Co  Co11  1  0.73  0.33  0.13  1.0
  Co  Co12  1  0.55  0.37  0.84  1.0
  Co  Co13  1  0.73  0.67  0.13  1.0
  Co  Co14  1  0.37  0.33  0.13  1.0
  Co  Co15  1  0.55  0.0  0.16  1.0
  Co  Co16  1  0.69  0.25  0.52  1.0
  Co  Co17  1  0.69  0.75  0.52  1.0
  Co  Co18  1  0.0  0.0  0.0  1.0
  Co  Co19  1  0.37  0.33  0.2  1.0
  Co  Co20  1  0.37  0.67  0.2  1.0
  Co  Co21  1  0.0  0.0  0.16  1.0
  Co  Co22  1  0.41  0.25  0.52  1.0
  Co  Co23  1  0.41  0.75  0.52  1.0
  Sb  Sb28  1  0.55  0.52  0.16  1.0
  Sb  Sb29  1  0.55  0.48  0.16  1.0
  Sb  Sb30  1  0.55  0.0  0.51  1.0
  Sb  Sb31  1  0.55  0.0  0.82  1.0

data_LiCo6Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.24
_cell_length_b   6.24
_cell_length_c   10.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCo6Sb
_chemical_formula_sum   'Li4 Co24 Sb4'
_cell_volume   376.01
_cell_formula_units_Z   4
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  Li0  1  0.0  0.0  0.47  1.0
  Li  Li1  1  0.0  0.0  0.86  1.0
  Li  Li2  1  0.55  0.46  0.0  1.0
  Li  Li3  1  0.55  0.54  0.0  1.0
  Co  Co4  1  0.0  0.0  0.0  1.0
  Co  Co5  1  0.0  0.0  0.16  1.0
  Co  Co6  1  0.37  0.33  0.13  1.0
  Co  Co7  1  0.37  0.33  0.2  1.0
  Co  Co8  1  0.37  0.67  0.13  1.0
  Co  Co9  1  0.37  0.67  0.2  1.0
  Co  Co10  1  0.41  0.25  0.52  1.0
  Co  Co11  1  0.41  0.25  0.8  1.0
  Co  Co12  1  0.41  0.75  0.52  1.0
  Co  Co13  1  0.41  0.75  0.8  1.0
  Co  Co14  1  0.55  0.0  0.0  1.0
  Co  Co15  1  0.55  0.0  0.16  1.0
  Co  Co16  1  0.55  0.37  0.48  1.0
  Co  Co17  1  0.55  0.37  0.84  1.0
  Co  Co18  1  0.55  0.63  0.48  1.0
  Co  Co19  1  0.55  0.63  0.84  1.0
  Co  Co20  1  0.69  0.25  0.52  1.0
  Co  Co21  1  0.69  0.25  0.8  1.0
  Co  Co22  1  0.69  0.75  0.52  1.0
  Co  Co23  1  0.69  0.75  0.8  1.0
  Co  Co24  1  0.73  0.33  0.13  1.0
  Co  Co25  1  0.73  0.33  0.2  1.0
  Co  Co26  1  0.73  0.67  0.13  1.0
  Co  Co27  1  0.73  0.67  0.2  1.0
  Sb  Sb28  1  0.55  0.0  0.51  1.0
  Sb  Sb29  1  0.55  0.0  0.82  1.0
  Sb  Sb30  1  0.55  0.48  0.16  1.0
  Sb  Sb31  1  0.55  0.52  0.16  1.0

Li Li Li Li Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Sb Sb Sb Sb
Li Li Li Li Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Sb Sb Sb Sb 0 1 o o o 2 21 - - o 3 22 o o + 4 21 o o o 4 27 o o o 5 13 o o o 5 31 o + o 6 31 o o o 6 16 o o o 7 26 o o o 7 20 o o o 8 13 o o o 9 16 o o o 10 31 o o - 10 19 o o o 11 15 o o o 11 19 o o o 12 17 o o o 14 24 o o o 14 19 o + o 15 19 o o o 18 23 o o o 19 24 o - o 20 30 o o o 22 25 o o o 27 30 o + o 28 29 o o o 