data_Ag3PtSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   5.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag3PtSe
_chemical_formula_sum   'Ag3 Pt1 Se1'
_cell_volume   131.16
_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
  Ag  Ag1  1  0.54  0.0  0.54  1.0
  Ag  Ag2  1  0.54  0.54  0.0  1.0
  Ag  Ag3  1  0.0  0.54  0.54  1.0
  Pt  Pt4  1  0.54  0.54  0.54  1.0
  Se  Se0  1  0.0  0.0  0.0  1.0

data_Ag3PtSe
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.19
_cell_length_b   7.19
_cell_length_c   8.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Ag3PtSe
_chemical_formula_sum   'Ag9 Pt3 Se3'
_cell_volume   393.47
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Ag  Ag0  9  0.18  0.82  0.36  1.0
  Pt  Pt1  3  0.0  0.0  0.54  1.0
  Se  Se2  3  0.0  0.0  0.0  1.0

Ag Ag Ag Pt Se
Ag Ag Ag Pt Se 0 3 o - o 0 3 o o o 0 4 + o + 0 4 + o o 0 4 o o + 0 4 o o o 1 3 o o - 1 3 o o o 1 4 + + o 1 4 + o o 1 4 o + o 1 4 o o o 2 3 - o o 2 3 o o o 2 4 o + + 2 4 o + o 2 4 o o + 2 4 o o o 3 4 + + + 
PtAg3Se is (Cubic) Perovskite structured and crystallizes in the trigonal R3m space group. Pt(1) is bonded to six equivalent Ag(1) atoms to form corner-sharing PtAg6 octahedra. The corner-sharing octahedra are not tilted. There are three shorter (2.34 Å) and three longer (2.75 Å) Pt(1)-Ag(1) bond lengths. Ag(1) is bonded in a 2-coordinate geometry to two equivalent Pt(1) and one Se(1) atom. The Ag(1)-Se(1) bond length is 3.30 Å. Se(1) is bonded in a 3-coordinate geometry to three equivalent Ag(1) atoms.