data_Na4Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.84
_cell_length_b   8.84
_cell_length_c   8.84
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na4Pt
_chemical_formula_sum   'Na16 Pt4'
_cell_volume   532.68
_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
  Na  Na0  1  0.38  0.38  0.38  1.0
  Na  Na1  1  0.27  0.73  0.73  1.0
  Na  Na2  1  0.73  0.27  0.73  1.0
  Na  Na3  1  0.73  0.73  0.27  1.0
  Na  Na4  1  0.0  0.0  0.12  1.0
  Na  Na5  1  0.0  0.0  0.09  1.0
  Na  Na6  1  0.0  0.12  0.0  1.0
  Na  Na7  1  0.0  0.09  0.0  1.0
  Na  Na8  1  0.12  0.0  0.0  1.0
  Na  Na9  1  0.09  0.0  0.0  1.0
  Na  Na10  1  0.11  0.0  0.55  1.0
  Na  Na11  1  0.0  0.11  0.55  1.0
  Na  Na12  1  0.0  0.55  0.11  1.0
  Na  Na13  1  0.11  0.55  0.0  1.0
  Na  Na14  1  0.55  0.11  0.0  1.0
  Na  Na15  1  0.55  0.0  0.11  1.0
  Pt  Pt16  1  0.79  0.79  0.79  1.0
  Pt  Pt17  1  0.68  0.32  0.32  1.0
  Pt  Pt18  1  0.32  0.68  0.32  1.0
  Pt  Pt19  1  0.32  0.32  0.68  1.0

data_Na4Pt
_symmetry_space_group_name_H-M   R3m
_cell_length_a   14.44
_cell_length_b   14.44
_cell_length_c   8.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Na4Pt
_chemical_formula_sum   'Na48 Pt12'
_cell_volume   1598.03
_cell_formula_units_Z   12
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  18  0.0  0.45  0.55  1.0
  Na  Na1  9  0.02  0.51  0.24  1.0
  Na  Na2  9  0.06  0.03  0.03  1.0
  Na  Na3  9  0.08  0.04  0.04  1.0
  Na  Na4  3  0.0  0.0  0.38  1.0
  Pt  Pt5  9  0.21  0.43  0.11  1.0
  Pt  Pt6  3  0.0  0.0  0.79  1.0

Na Na Na Na Na Na Na Na Na Na Na Na Na Na Na Na Pt Pt Pt Pt
Na Na Na Na Na Na Na Na Na Na Na Na Na Na Na Na Pt Pt Pt Pt 0 9 o o o 0 8 o o o 0 6 o o o 0 5 o o o 0 4 o o o 0 7 o o o 0 19 o o o 0 18 o o o 0 17 o o o 0 16 o o o 1 15 o + + 1 14 o + + 2 13 + o + 2 12 + o + 3 11 + + o 3 10 + + o 4 5 o o o 4 16 - - - 5 16 - - - 6 7 o o o 6 16 - - - 7 16 - - - 8 9 o o o 8 16 - - - 9 16 - - - 10 11 o o o 10 19 o o o 11 19 o o o 12 13 o o o 12 18 o o o 13 18 o o o 14 15 o o o 14 17 o o o 15 17 o o o 
Na4Pt crystallizes in the trigonal R3m space group. There are five inequivalent Na sites. In the first Na site, Na(1) is bonded in a 4-coordinate geometry to one Pt(1) and three equivalent Pt(2) atoms. The Na(1)-Pt(1) bond length is 3.63 Å. All Na(1)-Pt(2) bond lengths are 3.04 Å. In the second Na site, Na(2) is bonded in a 7-coordinate geometry to one Na(3), four equivalent Na(5), and two equivalent Pt(2) atoms. The Na(2)-Na(3) bond length is 3.63 Å. There are two shorter (2.86 Å) and two longer (3.66 Å) Na(2)-Na(5) bond lengths. Both Na(2)-Pt(2) bond lengths are 3.71 Å. In the third Na site, Na(3) is bonded in a single-bond geometry to one Na(2) and one Na(4) atom. The Na(3)-Na(4) bond length is 0.30 Å. In the fourth Na site, Na(4) is bonded in a distorted single-bond geometry to one Na(3), two equivalent Na(4), and one Pt(1) atom. Both Na(4)-Na(4) bond lengths are 1.29 Å. The Na(4)-Pt(1) bond length is 2.29 Å. In the fifth Na site, Na(5) is bonded in a 2-coordinate geometry to one Na(5), two equivalent Na(2), and one Pt(2) atom. The Na(5)-Na(5) bond length is 1.54 Å. The Na(5)-Pt(2) bond length is 2.41 Å. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a 4-coordinate geometry to one Na(1) and three equivalent Na(4) atoms. In the second Pt site, Pt(2) is bonded in a 3-coordinate geometry to one Na(1), two equivalent Na(2), and two equivalent Na(5) atoms.