data_BaPt2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.48
_cell_length_b   6.48
_cell_length_c   4.95
_cell_angle_alpha   92.7
_cell_angle_beta   92.7
_cell_angle_gamma   40.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaPt2Br
_chemical_formula_sum   'Ba1 Pt2 Br1'
_cell_volume   133.49
_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
  Ba  Ba0  1  0.96  0.0  0.47  1.0
  Pt  Pt2  1  0.14  0.0  0.99  1.0
  Pt  Pt3  1  0.78  0.0  0.95  1.0
  Br  Br1  1  0.0  0.0  0.0  1.0

data_BaPt2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.44
_cell_length_b   4.95
_cell_length_c   6.48
_cell_angle_alpha   92.7
_cell_angle_beta   110.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaPt2Br
_chemical_formula_sum   'Ba1 Pt2 Br1'
_cell_volume   133.49
_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
  Ba  Ba0  1  0.0  0.47  0.96  1.0
  Pt  Pt1  1  0.0  0.95  0.78  1.0
  Pt  Pt2  1  0.0  0.99  0.14  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Ba Pt Pt Br
BaPt2Br crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one BaPt2Br cluster. Ba(1) is bonded in a 1-coordinate geometry to one Br(1) atom. The Ba(1)-Br(1) bond length is 2.35 Å. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a single-bond geometry to one Br(1) atom. The Pt(1)-Br(1) bond length is 0.93 Å. In the second Pt site, Pt(2) is bonded in a single-bond geometry to one Br(1) atom. The Pt(2)-Br(1) bond length is 1.43 Å. Br(1) is bonded in a 2-coordinate geometry to one Ba(1), one Pt(1), and one Pt(2) atom.