data_Na5Ni24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.76
_cell_length_b   7.76
_cell_length_c   7.76
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na5Ni24
_chemical_formula_sum   'Na5 Ni24'
_cell_volume   359.78
_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
  Na  Na0  1  0.87  0.13  0.87  1.0
  Na  Na1  1  0.13  0.87  0.87  1.0
  Na  Na2  1  0.87  0.87  0.13  1.0
  Na  Na3  1  0.61  0.61  0.61  1.0
  Na  Na4  1  0.0  0.0  0.0  1.0
  Ni  Ni5  1  0.87  0.13  0.58  1.0
  Ni  Ni6  1  0.13  0.87  0.58  1.0
  Ni  Ni7  1  0.87  0.87  0.38  1.0
  Ni  Ni8  1  0.61  0.61  0.9  1.0
  Ni  Ni9  1  0.87  0.38  0.87  1.0
  Ni  Ni10  1  0.61  0.9  0.61  1.0
  Ni  Ni11  1  0.13  0.58  0.87  1.0
  Ni  Ni12  1  0.87  0.58  0.13  1.0
  Ni  Ni13  1  0.58  0.13  0.87  1.0
  Ni  Ni14  1  0.58  0.87  0.13  1.0
  Ni  Ni15  1  0.9  0.61  0.61  1.0
  Ni  Ni16  1  0.38  0.87  0.87  1.0
  Ni  Ni17  1  0.79  0.21  0.83  1.0
  Ni  Ni18  1  0.21  0.79  0.83  1.0
  Ni  Ni19  1  0.27  0.27  0.65  1.0
  Ni  Ni20  1  0.21  0.21  0.13  1.0
  Ni  Ni21  1  0.27  0.65  0.27  1.0
  Ni  Ni22  1  0.21  0.13  0.21  1.0
  Ni  Ni23  1  0.21  0.83  0.79  1.0
  Ni  Ni24  1  0.79  0.83  0.21  1.0
  Ni  Ni25  1  0.83  0.21  0.79  1.0
  Ni  Ni26  1  0.83  0.79  0.21  1.0
  Ni  Ni27  1  0.13  0.21  0.21  1.0
  Ni  Ni28  1  0.65  0.27  0.27  1.0

data_Na5Ni24
_symmetry_space_group_name_H-M   R3m
_cell_length_a   12.67
_cell_length_b   12.67
_cell_length_c   7.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Na5Ni24
_chemical_formula_sum   'Na15 Ni72'
_cell_volume   1079.35
_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+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
  10  '-y+2/3, -x+1/3, z+1/3'
  11  '-x+y+2/3, y+1/3, z+1/3'
  12  'x+2/3, x-y+1/3, z+1/3'
  13  'x+1/3, y+2/3, z+2/3'
  14  '-y+1/3, x-y+2/3, z+2/3'
  15  '-x+y+1/3, -x+2/3, z+2/3'
  16  '-y+1/3, -x+2/3, z+2/3'
  17  '-x+y+1/3, y+2/3, z+2/3'
  18  'x+1/3, x-y+2/3, z+2/3'
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
  Na  Na0  9  0.17  0.09  0.96  1.0
  Na  Na1  3  0.0  0.0  0.0  1.0
  Na  Na2  3  0.0  0.0  0.61  1.0
  Ni  Ni3  18  0.01  0.28  0.86  1.0
  Ni  Ni4  18  0.18  0.4  0.61  1.0
  Ni  Ni5  9  0.01  0.5  0.37  1.0
  Ni  Ni6  9  0.03  0.05  0.18  1.0
  Ni  Ni7  9  0.19  0.1  0.71  1.0
  Ni  Ni8  9  0.21  0.42  0.06  1.0

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