data_Ga2GePt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   4.59
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2GePt
_chemical_formula_sum   'Ga2 Ge1 Pt1'
_cell_volume   68.27
_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
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.87  0.87  0.87  1.0
  Ge  Ge2  1  0.24  0.24  0.24  1.0
  Pt  Pt3  1  0.62  0.62  0.62  1.0

data_Ga2GePt
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   11.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Ga2GePt
_chemical_formula_sum   'Ga6 Ge3 Pt3'
_cell_volume   204.82
_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
  Ga  Ga0  3  0.0  0.0  0.0  1.0
  Ga  Ga1  3  0.0  0.0  0.13  1.0
  Ge  Ge2  3  0.0  0.0  0.76  1.0
  Pt  Pt3  3  0.0  0.0  0.38  1.0

Ga Ga Ge Pt
Ga Ga Ge Pt 0 1 - - - 0 2 o o o 0 2 o o - 0 2 - o o 0 2 o - o 0 3 o - - 0 3 - o - 0 3 - - o 1 2 + + o 1 2 + o + 1 2 o + + 1 3 o + o 1 3 + o o 1 3 o o + 1 3 o o o 2 3 - o o 2 3 o - o 2 3 o o - 
PtGa2Ge crystallizes in the trigonal R3m space group. Pt(1) is bonded in a 10-coordinate geometry to three equivalent Ga(1), four equivalent Ga(2), and three equivalent Ge(1) atoms. All Pt(1)-Ga(1) bond lengths are 2.70 Å. There is one shorter (2.74 Å) and three longer (2.83 Å) Pt(1)-Ga(2) bond lengths. All Pt(1)-Ge(1) bond lengths are 2.70 Å. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 1-coordinate geometry to three equivalent Pt(1), one Ga(2), and four equivalent Ge(1) atoms. The Ga(1)-Ga(2) bond length is 1.51 Å. There is one shorter (2.74 Å) and three longer (2.83 Å) Ga(1)-Ge(1) bond lengths. In the second Ga site, Ga(2) is bonded in a 8-coordinate geometry to four equivalent Pt(1), one Ga(1), and three equivalent Ge(1) atoms. All Ga(2)-Ge(1) bond lengths are 2.70 Å. Ge(1) is bonded in a 10-coordinate geometry to three equivalent Pt(1), three equivalent Ga(2), and four equivalent Ga(1) atoms.