data_TiGePt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.0
_cell_length_b   3.0
_cell_length_c   7.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiGePt2
_chemical_formula_sum   'Ti1 Ge1 Pt2'
_cell_volume   63.16
_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
  Ti  Ti3  1  0.0  0.0  0.52  1.0
  Ge  Ge0  1  0.5  0.5  0.32  1.0
  Pt  Pt1  1  0.0  0.0  0.83  1.0
  Pt  Pt2  1  0.5  0.5  0.9  1.0

data_TiGePt2
_symmetry_space_group_name_H-M   P4mm
_cell_length_a   3.0
_cell_length_b   3.0
_cell_length_c   7.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   99
_chemical_formula_structural   TiGePt2
_chemical_formula_sum   'Ti1 Ge1 Pt2'
_cell_volume   63.16
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x, z'
  3  '-x, -y, z'
  4  'y, -x, z'
  5  '-x, y, z'
  6  'y, x, z'
  7  'x, -y, z'
  8  '-y, -x, 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
  Ti  Ti0  1  0.0  0.0  0.52  1.0
  Ge  Ge1  1  0.5  0.5  0.32  1.0
  Pt  Pt2  1  0.0  0.0  0.83  1.0
  Pt  Pt3  1  0.5  0.5  0.9  1.0

Ti Ge Pt Pt
TiPt2Ge crystallizes in the monoclinic Cm space group. Ti(1) is bonded in a 5-coordinate geometry to one Pt(1) and four equivalent Ge(1) atoms. The Ti(1)-Pt(1) bond length is 2.19 Å. There are a spread of Ti(1)-Ge(1) bond distances ranging from 2.53-2.55 Å. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a distorted single-bond geometry to one Ti(1) and four equivalent Pt(2) atoms. There is one shorter (2.16 Å) and three longer (2.17 Å) Pt(1)-Pt(2) bond lengths. In the second Pt site, Pt(2) is bonded to four equivalent Pt(1) and one Ge(1) atom to form a mixture of distorted edge and corner-sharing PtGePt4 square pyramids. The Pt(2)-Ge(1) bond length is 2.99 Å. Ge(1) is bonded in a 5-coordinate geometry to four equivalent Ti(1) and one Pt(2) atom.