data_Ba2YPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54
_cell_length_b   5.54
_cell_length_c   4.4
_cell_angle_alpha   90.86
_cell_angle_beta   90.86
_cell_angle_gamma   94.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2YPt
_chemical_formula_sum   'Ba2 Y1 Pt1'
_cell_volume   134.37
_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
  Ba  Ba0  1  0.83  0.97  0.2  1.0
  Ba  Ba1  1  0.83  0.03  0.2  1.0
  Y  Y3  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.77  0.0  0.0  1.0

data_Ba2YPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.4
_cell_length_b   5.54
_cell_length_c   5.54
_cell_angle_alpha   94.28
_cell_angle_beta   90.86
_cell_angle_gamma   90.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2YPt
_chemical_formula_sum   'Ba2 Y1 Pt1'
_cell_volume   134.37
_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
  Ba  Ba0  1  0.2  0.83  0.03  1.0
  Ba  Ba1  1  0.2  0.83  0.97  1.0
  Y  Y2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.0  0.77  0.0  1.0

Ba Ba Y Pt
Ba2YPt is alpha Po structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Ba2YPt cluster. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 1-coordinate geometry to one Ba(2) and one Pt(1) atom. The Ba(1)-Ba(2) bond length is 0.32 Å. The Ba(1)-Pt(1) bond length is 0.97 Å. In the second Ba site, Ba(2) is bonded in a 2-coordinate geometry to one Ba(1) and one Pt(1) atom. The Ba(2)-Pt(1) bond length is 0.95 Å. Y(1) is bonded in a distorted single-bond geometry to one Pt(1) atom. The Y(1)-Pt(1) bond length is 1.30 Å. Pt(1) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), and one Y(1) atom.