data_Co2PtBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.06
_cell_length_b   4.06
_cell_length_c   6.08
_cell_angle_alpha   90.39
_cell_angle_beta   90.39
_cell_angle_gamma   46.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2PtBr
_chemical_formula_sum   'Co2 Pt1 Br1'
_cell_volume   72.91
_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
  Co  Co1  1  0.13  0.0  0.64  1.0
  Co  Co2  1  0.32  0.0  0.77  1.0
  Pt  Pt3  1  0.15  0.0  0.64  1.0
  Br  Br0  1  0.49  0.0  0.15  1.0

data_Co2PtBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   4.06
_cell_length_c   6.08
_cell_angle_alpha   90.39
_cell_angle_beta   90.0
_cell_angle_gamma   113.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2PtBr
_chemical_formula_sum   'Co2 Pt1 Br1'
_cell_volume   72.91
_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
  Co  Co0  1  0.0  0.68  0.23  1.0
  Co  Co1  1  0.0  0.87  0.36  1.0
  Pt  Pt2  1  0.0  0.85  0.36  1.0
  Br  Br3  1  0.0  0.51  0.85  1.0

Co Co Pt Br
Co2PtBr crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Co2PtBr cluster. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a single-bond geometry to one Pt(1) atom. The Co(1)-Pt(1) bond length is 0.07 Å. In the second Co site, Co(2) is bonded in a distorted bent 150 degrees geometry to one Pt(1) and one Br(1) atom. The Co(2)-Pt(1) bond length is 1.07 Å. The Co(2)-Br(1) bond length is 2.36 Å. Pt(1) is bonded in a distorted bent 150 degrees geometry to one Co(1) and one Co(2) atom. Br(1) is bonded in a single-bond geometry to one Co(2) atom.