data_AsPt3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   5.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsPt3
_chemical_formula_sum   'As2 Pt6'
_cell_volume   133.64
_cell_formula_units_Z   2
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
  As  As0  1  0.56  0.56  0.56  1.0
  As  As1  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.28  0.0  0.56  1.0
  Pt  Pt3  1  0.83  0.0  0.56  1.0
  Pt  Pt4  1  0.56  0.28  0.0  1.0
  Pt  Pt5  1  0.56  0.83  0.0  1.0
  Pt  Pt6  1  0.0  0.56  0.83  1.0
  Pt  Pt7  1  0.0  0.56  0.28  1.0

data_AsPt3
_symmetry_space_group_name_H-M   R3
_cell_length_a   7.23
_cell_length_b   7.23
_cell_length_c   8.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   AsPt3
_chemical_formula_sum   'As6 Pt18'
_cell_volume   400.91
_cell_formula_units_Z   6
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  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  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'
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
  As  As0  3  0.0  0.0  0.0  1.0
  As  As1  3  0.0  0.0  0.56  1.0
  Pt  Pt2  9  0.04  0.24  0.8  1.0
  Pt  Pt3  9  0.06  0.67  0.94  1.0

As As Pt Pt Pt Pt Pt Pt
Pt3As crystallizes in the trigonal R3 space group. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a 3-coordinate geometry to one Pt(2), two equivalent As(1), and two equivalent As(2) atoms. The Pt(1)-Pt(2) bond length is 2.27 Å. There is one shorter (2.68 Å) and one longer (3.18 Å) Pt(1)-As(1) bond length. There is one shorter (2.68 Å) and one longer (3.18 Å) Pt(1)-As(2) bond length. In the second Pt site, Pt(2) is bonded in a 3-coordinate geometry to one Pt(1), two equivalent As(1), and two equivalent As(2) atoms. There is one shorter (2.68 Å) and one longer (3.18 Å) Pt(2)-As(1) bond length. There is one shorter (2.42 Å) and one longer (2.97 Å) Pt(2)-As(2) bond length. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 12-coordinate geometry to six equivalent Pt(1) and six equivalent Pt(2) atoms. In the second As site, As(2) is bonded in a 12-coordinate geometry to six equivalent Pt(1) and six equivalent Pt(2) atoms.