data_BiPtSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.38
_cell_length_b   4.85
_cell_length_c   5.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiPtSe2
_chemical_formula_sum   'Bi1 Pt1 Se2'
_cell_volume   85.31
_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  0.0  0.43  0.6  1.0
  Pt  Pt1  1  0.69  0.43  0.0  1.0
  Se  Se2  1  0.69  0.0  0.6  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_BiPtSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   4.85
_cell_length_c   5.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiPtSe2
_chemical_formula_sum   'Bi1 Pt1 Se2'
_cell_volume   85.31
_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  0.0  0.43  0.6  1.0
  Pt  Pt1  1  0.69  0.43  0.0  1.0
  Se  Se2  1  0.0  0.0  0.0  1.0
  Se  Se3  1  0.69  0.0  0.6  1.0

Bi Pt Se Se
PtBiSe2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one PtBiSe2 cluster. Pt(1) is bonded in a 2-coordinate geometry to one Bi(1) and one Se(2) atom. The Pt(1)-Bi(1) bond length is 2.33 Å. The Pt(1)-Se(2) bond length is 2.32 Å. Bi(1) is bonded in a 2-coordinate geometry to one Pt(1) and one Se(1) atom. The Bi(1)-Se(1) bond length is 2.32 Å. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a 1-coordinate geometry to one Bi(1) atom. In the second Se site, Se(2) is bonded in a 1-coordinate geometry to one Pt(1) atom.