data_As3Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   2.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   As3Pt
_chemical_formula_sum   'As3 Pt1'
_cell_volume   70.88
_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
  As  As0  1  0.45  0.0  0.47  1.0
  As  As1  1  0.0  0.0  0.0  1.0
  As  As2  1  0.0  0.45  0.47  1.0
  Pt  Pt3  1  0.45  0.45  0.0  1.0

data_As3Pt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.94
_cell_length_b   6.94
_cell_length_c   2.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   As3Pt
_chemical_formula_sum   'As6 Pt2'
_cell_volume   141.76
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.23  0.23  0.47  1.0
  As  As1  2  0.0  0.0  0.0  1.0
  Pt  Pt2  2  0.45  0.0  0.0  1.0

As As As Pt
As As As Pt 0 1 o o o 0 1 o o + 0 1 + o o 0 1 + o + 0 2 o o o 0 3 o - o 0 3 o - + 0 3 o o o 0 3 o o + 0 0 o o + 1 2 o - - 1 2 o - o 1 2 o o - 1 2 o o o 1 1 o o + 1 3 o o o 2 3 - o o 2 3 - o + 2 3 o o o 2 3 o o + 2 2 o o + 3 3 o o + 
PtAs3 crystallizes in the monoclinic Cm space group. Pt(1) is bonded in a 11-coordinate geometry to two equivalent Pt(1), one As(2), and eight equivalent As(1) atoms. Both Pt(1)-Pt(1) bond lengths are 2.95 Å. The Pt(1)-As(2) bond length is 3.14 Å. There are a spread of Pt(1)-As(1) bond distances ranging from 2.62-3.10 Å. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 6-coordinate geometry to four equivalent Pt(1) and four equivalent As(2) atoms. There are a spread of As(1)-As(2) bond distances ranging from 2.62-3.10 Å. In the second As site, As(2) is bonded in a 11-coordinate geometry to one Pt(1), two equivalent As(2), and eight equivalent As(1) atoms. Both As(2)-As(2) bond lengths are 2.95 Å.