data_BAsPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.78
_cell_length_b   2.78
_cell_length_c   7.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BAsPt2
_chemical_formula_sum   'B1 As1 Pt2'
_cell_volume   56.62
_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
  B  B1  1  0.0  0.0  0.0  1.0
  As  As0  1  0.0  0.0  0.68  1.0
  Pt  Pt2  1  0.39  0.39  0.34  1.0
  Pt  Pt3  1  0.39  0.39  0.01  1.0

data_BAsPt2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.93
_cell_length_b   3.93
_cell_length_c   7.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BAsPt2
_chemical_formula_sum   'B2 As2 Pt4'
_cell_volume   113.25
_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
  B  B0  2  0.0  0.0  0.0  1.0
  As  As1  2  0.0  0.0  0.68  1.0
  Pt  Pt2  2  0.39  0.0  0.01  1.0
  Pt  Pt3  2  0.39  0.0  0.34  1.0

B As Pt Pt
B As Pt Pt 0 3 o o o 0 1 o o - 0 2 o o o 0 2 o - o 0 2 - o o 1 2 - o o 1 2 o - o 1 2 o o o 1 3 - o + 1 3 o - + 1 3 o o + 1 1 + o o 1 1 o + o 2 2 + o o 2 2 o + o 2 3 o o o 
Pt2BAs crystallizes in the monoclinic Cm space group. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a 8-coordinate geometry to one Pt(2), four equivalent Pt(1), and three equivalent As(1) atoms. The Pt(1)-Pt(2) bond length is 2.48 Å. All Pt(1)-Pt(1) bond lengths are 2.78 Å. There is one shorter (2.87 Å) and two longer (3.16 Å) Pt(1)-As(1) bond lengths. In the second Pt site, Pt(2) is bonded in a 3-coordinate geometry to one Pt(1) and four equivalent B(1) atoms. There are a spread of Pt(2)-B(1) bond distances ranging from 1.52-2.40 Å. B(1) is bonded in a 5-coordinate geometry to four equivalent Pt(2) and one As(1) atom. The B(1)-As(1) bond length is 2.39 Å. As(1) is bonded in a 1-coordinate geometry to three equivalent Pt(1) and one B(1) atom.