data_GaAsPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   5.3
_cell_angle_alpha   147.75
_cell_angle_beta   122.31
_cell_angle_gamma   67.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaAsPt2
_chemical_formula_sum   'Ga1 As1 Pt2'
_cell_volume   66.4
_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  Ga1  1  0.0  0.0  0.0  1.0
  As  As0  1  0.0  0.0  0.41  1.0
  Pt  Pt2  1  0.47  0.0  0.11  1.0
  Pt  Pt3  1  0.0  0.56  0.3  1.0

data_GaAsPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   5.12
_cell_length_c   5.3
_cell_angle_alpha   118.85
_cell_angle_beta   106.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaAsPt2
_chemical_formula_sum   'Ga1 As1 Pt2'
_cell_volume   66.4
_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
  As  As1  1  0.59  0.59  0.59  1.0
  Pt  Pt2  1  0.36  0.89  0.36  1.0
  Pt  Pt3  1  0.7  0.26  0.26  1.0

Ga As Pt Pt
Ga As Pt Pt 0 3 o o o 0 3 o - - 0 2 o o o 0 1 o o o 1 3 o - o 1 2 - o o 2 3 o - - 
Pt2GaAs crystallizes in the triclinic P1 space group. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a 2-coordinate geometry to one Ga(1) and one As(1) atom. The Pt(1)-Ga(1) bond length is 2.25 Å. The Pt(1)-As(1) bond length is 2.36 Å. In the second Pt site, Pt(2) is bonded in a 3-coordinate geometry to two equivalent Ga(1) and one As(1) atom. There is one shorter (1.84 Å) and one longer (2.15 Å) Pt(2)-Ga(1) bond length. The Pt(2)-As(1) bond length is 1.88 Å. Ga(1) is bonded in a 4-coordinate geometry to one Pt(1), two equivalent Pt(2), and one As(1) atom. The Ga(1)-As(1) bond length is 2.15 Å. As(1) is bonded in a 3-coordinate geometry to one Pt(1), one Pt(2), and one Ga(1) atom.