data_BTePt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   4.53
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BTePt2
_chemical_formula_sum   'B1 Te1 Pt2'
_cell_volume   65.66
_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
  B  B0  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.6  0.6  0.6  1.0
  Pt  Pt1  1  0.2  0.2  0.2  1.0
  Pt  Pt2  1  0.8  0.8  0.8  1.0

data_BTePt2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   11.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   BTePt2
_chemical_formula_sum   'B3 Te3 Pt6'
_cell_volume   196.99
_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
  B  B0  3  0.0  0.0  0.0  1.0
  Te  Te1  3  0.0  0.0  0.4  1.0
  Pt  Pt2  3  0.0  0.0  0.2  1.0
  Pt  Pt3  3  0.0  0.0  0.8  1.0

B Te Pt Pt
Pt2BTe crystallizes in the trigonal R3m space group. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a 1-coordinate geometry to one B(1) and three equivalent Te(1) atoms. The Pt(1)-B(1) bond length is 2.24 Å. All Pt(1)-Te(1) bond lengths are 2.71 Å. In the second Pt site, Pt(2) is bonded in a linear geometry to one B(1) and four equivalent Te(1) atoms. The Pt(2)-B(1) bond length is 2.18 Å. There is one shorter (2.24 Å) and three longer (2.99 Å) Pt(2)-Te(1) bond lengths. B(1) is bonded in a distorted linear geometry to one Pt(1), one Pt(2), and three equivalent Te(1) atoms. All B(1)-Te(1) bond lengths are 2.71 Å. Te(1) is bonded in a 10-coordinate geometry to three equivalent Pt(1), four equivalent Pt(2), and three equivalent B(1) atoms.