data_BaPtCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   5.23
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaPtCl2
_chemical_formula_sum   'Ba1 Pt1 Cl2'
_cell_volume   100.93
_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  0.7  0.7  0.7  1.0
  Pt  Pt3  1  0.85  0.85  0.85  1.0
  Cl  Cl1  1  0.0  0.0  0.0  1.0
  Cl  Cl2  1  0.54  0.54  0.54  1.0

data_BaPtCl2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   12.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   BaPtCl2
_chemical_formula_sum   'Ba3 Pt3 Cl6'
_cell_volume   302.8
_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  0.3  1.0
  Pt  Pt1  3  0.0  0.0  0.15  1.0
  Cl  Cl2  3  0.0  0.0  0.0  1.0
  Cl  Cl3  3  0.0  0.0  0.46  1.0

Ba Pt Cl Cl
BaPtCl2 crystallizes in the trigonal R3m space group. Ba(1) is bonded in a distorted linear geometry to one Pt(1), one Cl(2), and three equivalent Cl(1) atoms. The Ba(1)-Pt(1) bond length is 1.95 Å. The Ba(1)-Cl(2) bond length is 1.95 Å. All Ba(1)-Cl(1) bond lengths are 3.04 Å. Pt(1) is bonded in a distorted linear geometry to one Ba(1) and one Cl(1) atom. The Pt(1)-Cl(1) bond length is 1.95 Å. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to three equivalent Ba(1) and one Pt(1) atom to form distorted corner-sharing ClBa3Pt trigonal pyramids. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one Ba(1) atom.