data_Ti2RuPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.11
_cell_length_b   3.11
_cell_length_c   6.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2RuPt
_chemical_formula_sum   'Ti2 Ru1 Pt1'
_cell_volume   61.01
_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  Ti2  1  0.55  0.55  0.51  1.0
  Ti  Ti3  1  0.55  0.55  0.81  1.0
  Ru  Ru1  1  0.0  0.0  0.0  1.0
  Pt  Pt0  1  0.0  0.0  0.16  1.0

data_Ti2RuPt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.39
_cell_length_b   4.39
_cell_length_c   6.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ti2RuPt
_chemical_formula_sum   'Ti4 Ru2 Pt2'
_cell_volume   122.02
_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
  Ti  Ti0  2  0.05  0.5  0.51  1.0
  Ti  Ti1  2  0.05  0.5  0.81  1.0
  Ru  Ru2  2  0.0  0.0  0.0  1.0
  Pt  Pt3  2  0.0  0.0  0.16  1.0

Ti Ti Ru Pt
Ti2RuPt crystallizes in the monoclinic Cm space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 9-coordinate geometry to one Ti(2), four equivalent Ti(1), and four equivalent Pt(1) atoms. The Ti(1)-Ti(2) bond length is 1.92 Å. All Ti(1)-Ti(1) bond lengths are 3.11 Å. There are a spread of Ti(1)-Pt(1) bond distances ranging from 2.95-3.28 Å. In the second Ti site, Ti(2) is bonded in a 5-coordinate geometry to one Ti(1) and four equivalent Ru(1) atoms. There are a spread of Ti(2)-Ru(1) bond distances ranging from 2.30-2.71 Å. Ru(1) is bonded in a 5-coordinate geometry to four equivalent Ti(2) and one Pt(1) atom. The Ru(1)-Pt(1) bond length is 1.01 Å. Pt(1) is bonded in a single-bond geometry to four equivalent Ti(1) and one Ru(1) atom.