data_Na2AsPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   4.68
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2AsPt
_chemical_formula_sum   'Na2 As1 Pt1'
_cell_volume   72.25
_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  Na1  1  0.65  0.65  0.65  1.0
  Na  Na2  1  0.0  0.0  0.0  1.0
  As  As0  1  0.31  0.31  0.31  1.0
  Pt  Pt3  1  0.96  0.96  0.96  1.0

data_Na2AsPt
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   11.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Na2AsPt
_chemical_formula_sum   'Na6 As3 Pt3'
_cell_volume   216.75
_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
  Na  Na0  3  0.0  0.0  0.0  1.0
  Na  Na1  3  0.0  0.0  0.35  1.0
  As  As2  3  0.0  0.0  0.69  1.0
  Pt  Pt3  3  0.0  0.0  0.04  1.0

Na Na As Pt
Na Na As Pt 0 2 o o + 0 2 o + o 0 2 + o o 0 1 o + + 0 1 + o + 0 1 + + o 0 3 - o o 0 3 o - o 0 3 o o - 1 3 - - - 1 2 o o - 1 2 o - o 1 2 - o o 2 3 - - o 2 3 - o - 2 3 o - - 
Na2PtAs crystallizes in the trigonal R3m space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 7-coordinate geometry to four equivalent Pt(1) and three equivalent As(1) atoms. There are three shorter (2.72 Å) and one longer (3.50 Å) Na(1)-Pt(1) bond length. All Na(1)-As(1) bond lengths are 2.70 Å. In the second Na site, Na(2) is bonded in a single-bond geometry to one Pt(1) and four equivalent As(1) atoms. The Na(2)-Pt(1) bond length is 0.47 Å. There are three shorter (2.72 Å) and one longer (3.50 Å) Na(2)-As(1) bond length. Pt(1) is bonded in a single-bond geometry to one Na(2), four equivalent Na(1), and three equivalent As(1) atoms. All Pt(1)-As(1) bond lengths are 2.70 Å. As(1) is bonded in a 10-coordinate geometry to three equivalent Na(1), four equivalent Na(2), and three equivalent Pt(1) atoms.