data_BiPt2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.48
_cell_length_b   3.48
_cell_length_c   7.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   95.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiPt2Br
_chemical_formula_sum   'Bi1 Pt2 Br1'
_cell_volume   90.76
_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
  Bi  Bi0  1  0.33  0.0  0.34  1.0
  Pt  Pt2  1  0.33  0.0  0.25  1.0
  Pt  Pt3  1  0.0  0.0  0.86  1.0
  Br  Br1  1  0.0  0.0  0.39  1.0

data_BiPt2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.48
_cell_length_b   3.48
_cell_length_c   7.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   95.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiPt2Br
_chemical_formula_sum   'Bi1 Pt2 Br1'
_cell_volume   90.76
_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
  Bi  Bi0  1  0.33  0.0  0.34  1.0
  Pt  Pt1  1  0.0  0.0  0.86  1.0
  Pt  Pt2  1  0.33  0.0  0.25  1.0
  Br  Br3  1  0.0  0.0  0.39  1.0

Bi Pt Pt Br
Pt2BiBr crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Pt2BiBr cluster. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a single-bond geometry to one Pt(2) and one Bi(1) atom. The Pt(1)-Pt(2) bond length is 3.14 Å. The Pt(1)-Bi(1) bond length is 0.71 Å. In the second Pt site, Pt(2) is bonded in a distorted single-bond geometry to one Pt(1) atom. Bi(1) is bonded in a distorted water-like geometry to one Pt(1) and one Br(1) atom. The Bi(1)-Br(1) bond length is 1.21 Å. Br(1) is bonded in a distorted single-bond geometry to one Bi(1) atom.