data_BaAg2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaAg2Pt
_chemical_formula_sum   'Ba1 Ag2 Pt1'
_cell_volume   97.72
_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  Ba2  1  0.66  0.66  0.66  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Ag  Ag1  1  0.48  0.48  0.48  1.0
  Pt  Pt3  1  0.83  0.83  0.83  1.0

data_BaAg2Pt
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   12.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   BaAg2Pt
_chemical_formula_sum   'Ba3 Ag6 Pt3'
_cell_volume   293.15
_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
  Ba  Ba0  3  0.0  0.0  0.34  1.0
  Ag  Ag1  3  0.0  0.0  -0.0  1.0
  Ag  Ag2  3  0.0  0.0  0.52  1.0
  Pt  Pt3  3  0.0  0.0  0.17  1.0

Ba Ag Ag Pt
Ba Ag Ag Pt 0 2 o o o 0 3 o o o 1 3 - - - 
BaPtAg2 crystallizes in the trigonal R3m space group. Ba(1) is bonded in a 2-coordinate geometry to one Pt(1), one Ag(2), and three equivalent Ag(1) atoms. The Ba(1)-Pt(1) bond length is 2.18 Å. The Ba(1)-Ag(2) bond length is 2.18 Å. All Ba(1)-Ag(1) bond lengths are 2.99 Å. Pt(1) is bonded in a 5-coordinate geometry to one Ba(1), one Ag(1), and three equivalent Ag(2) atoms. The Pt(1)-Ag(1) bond length is 2.18 Å. All Pt(1)-Ag(2) bond lengths are 2.99 Å. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to three equivalent Ba(1) and one Pt(1) atom to form corner-sharing AgBa3Pt trigonal pyramids. In the second Ag site, Ag(2) is bonded in a distorted single-bond geometry to one Ba(1) and three equivalent Pt(1) atoms.