data_CuBPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.87
_cell_length_b   3.87
_cell_length_c   3.87
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuBPt
_chemical_formula_sum   'Cu1 B1 Pt1'
_cell_volume   41.1
_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
  Cu  Cu1  1  0.74  0.74  0.74  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.37  0.37  0.37  1.0

data_CuBPt
_symmetry_space_group_name_H-M   R3m
_cell_length_a   3.87
_cell_length_b   3.87
_cell_length_c   9.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CuBPt
_chemical_formula_sum   'Cu3 B3 Pt3'
_cell_volume   123.31
_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
  Cu  Cu0  3  0.0  0.0  0.26  1.0
  B  B1  3  0.0  0.0  0.0  1.0
  Pt  Pt2  3  0.0  0.0  0.63  1.0

Cu B Pt
CuPtB crystallizes in the trigonal R3m space group. Pt(1) is bonded in a hexagonal planar geometry to three equivalent Cu(1) and three equivalent B(1) atoms. All Pt(1)-Cu(1) bond lengths are 2.26 Å. All Pt(1)-B(1) bond lengths are 2.26 Å. Cu(1) is bonded to three equivalent Pt(1) and four equivalent B(1) atoms to form distorted CuB4Pt3 hexagonal pyramids that share corners with three equivalent B(1)Cu4Pt3 hexagonal pyramids, corners with six equivalent Cu(1)B4Pt3 hexagonal pyramids, edges with three equivalent B(1)Cu4Pt3 hexagonal pyramids, and edges with six equivalent Cu(1)B4Pt3 hexagonal pyramids. There are three shorter (2.34 Å) and one longer (2.48 Å) Cu(1)-B(1) bond length. B(1) is bonded to three equivalent Pt(1) and four equivalent Cu(1) atoms to form distorted BCu4Pt3 hexagonal pyramids that share corners with three equivalent Cu(1)B4Pt3 hexagonal pyramids, corners with six equivalent B(1)Cu4Pt3 hexagonal pyramids, edges with three equivalent Cu(1)B4Pt3 hexagonal pyramids, and edges with six equivalent B(1)Cu4Pt3 hexagonal pyramids.