data_UPt5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   5.3
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   UPt5
_chemical_formula_sum   'U1 Pt5'
_cell_volume   105.25
_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
  U  U0  1  0.62  0.62  0.62  1.0
  Pt  Pt1  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.69  0.69  0.81  1.0
  Pt  Pt3  1  0.69  0.81  0.69  1.0
  Pt  Pt4  1  0.81  0.69  0.69  1.0
  Pt  Pt5  1  0.81  0.81  0.81  1.0

data_UPt5
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   12.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   UPt5
_chemical_formula_sum   'U3 Pt15'
_cell_volume   315.74
_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
  U  U0  3  0.0  0.0  0.38  1.0
  Pt  Pt1  9  0.04  0.08  0.27  1.0
  Pt  Pt2  3  0.0  0.0  0.0  1.0
  Pt  Pt3  3  0.0  0.0  0.19  1.0

U Pt Pt Pt Pt Pt
U Pt Pt Pt Pt Pt 0 4 o o o 0 3 o o o 0 2 o o o 0 1 + + o 0 1 + o + 0 1 o + + 1 5 - - - 1 4 - - o 1 4 o - - 1 4 - o - 1 3 - - o 1 3 - o - 1 3 o - - 1 2 - - o 1 2 - o - 1 2 o - - 2 4 o o o 2 3 o o o 2 5 o o o 3 4 o o o 3 5 o o o 4 5 o o o 
UPt5 crystallizes in the trigonal R3m space group. U(1) is bonded in a 3-coordinate geometry to three equivalent Pt(1), three equivalent Pt(2), and three equivalent Pt(3) atoms. All U(1)-Pt(1) bond lengths are 3.12 Å. All U(1)-Pt(2) bond lengths are 1.43 Å. All U(1)-Pt(3) bond lengths are 3.60 Å. There are three inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a 4-coordinate geometry to three equivalent U(1) and one Pt(3) atom. The Pt(1)-Pt(3) bond length is 2.49 Å. In the second Pt site, Pt(2) is bonded in a 2-coordinate geometry to one U(1), one Pt(3), and two equivalent Pt(2) atoms. The Pt(2)-Pt(3) bond length is 1.12 Å. Both Pt(2)-Pt(2) bond lengths are 0.65 Å. In the third Pt site, Pt(3) is bonded in a 7-coordinate geometry to three equivalent U(1), one Pt(1), and three equivalent Pt(2) atoms.