data_P2PtSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.2
_cell_length_b   3.2
_cell_length_c   6.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P2PtSe
_chemical_formula_sum   'P2 Pt1 Se1'
_cell_volume   71.38
_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
  P  P0  1  0.6  0.6  0.78  1.0
  P  P1  1  0.0  0.0  0.59  1.0
  Pt  Pt2  1  0.6  0.6  0.23  1.0
  Se  Se3  1  0.0  0.0  0.86  1.0

data_P2PtSe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.52
_cell_length_b   4.52
_cell_length_c   6.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   P2PtSe
_chemical_formula_sum   'P4 Pt2 Se2'
_cell_volume   142.76
_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
  P  P0  2  0.0  0.0  0.59  1.0
  P  P1  2  0.1  0.5  0.78  1.0
  Pt  Pt2  2  0.1  0.5  0.23  1.0
  Se  Se3  2  0.0  0.0  0.86  1.0

P P Pt Se
PtP2Se crystallizes in the monoclinic Cm space group. Pt(1) is bonded in a 7-coordinate geometry to four equivalent Pt(1), one P(1), one P(2), and one Se(1) atom. All Pt(1)-Pt(1) bond lengths are 3.20 Å. The Pt(1)-P(1) bond length is 3.14 Å. The Pt(1)-P(2) bond length is 3.13 Å. The Pt(1)-Se(1) bond length is 3.14 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 1-coordinate geometry to one Pt(1) and one Se(1) atom. The P(1)-Se(1) bond length is 1.90 Å. In the second P site, P(2) is bonded in a single-bond geometry to one Pt(1) and one Se(1) atom. The P(2)-Se(1) bond length is 1.86 Å. Se(1) is bonded in a 2-coordinate geometry to one Pt(1), one P(1), and one P(2) atom.