data_ZrTcSnPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   4.71
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTcSnPt
_chemical_formula_sum   'Zr1 Tc1 Sn1 Pt1'
_cell_volume   74.0
_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
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.67  0.67  0.67  1.0
  Sn  Sn1  1  1.0  1.0  1.0  1.0
  Pt  Pt0  1  0.33  0.33  0.33  1.0

data_ZrTcSnPt
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   11.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   ZrTcSnPt
_chemical_formula_sum   'Zr3 Tc3 Sn3 Pt3'
_cell_volume   222.01
_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
  Zr  Zr0  3  0.0  0.0  0.0  1.0
  Tc  Tc1  3  0.0  0.0  0.33  1.0
  Sn  Sn2  3  0.0  0.0  0.0  1.0
  Pt  Pt3  3  0.0  0.0  0.67  1.0

Zr Tc Sn Pt 0 2 - - - 0 1 o - - 0 1 - o - 0 1 - - o 0 3 o o - 0 3 o - o 0 3 - o o 1 3 o o + 1 3 o + o 1 3 + o o 1 2 - o o 1 2 o - o 1 2 o o - 2 3 + + o 2 3 + o + 2 3 o + + 
ZrTcPtSn crystallizes in the trigonal R3m space group. Zr(1) is bonded in a single-bond geometry to three equivalent Tc(1), four equivalent Pt(1), and one Sn(1) atom. All Zr(1)-Tc(1) bond lengths are 2.72 Å. There are three shorter (2.72 Å) and one longer (3.84 Å) Zr(1)-Pt(1) bond length. The Zr(1)-Sn(1) bond length is 0.02 Å. Tc(1) is bonded in a 9-coordinate geometry to three equivalent Zr(1), three equivalent Pt(1), and three equivalent Sn(1) atoms. All Tc(1)-Pt(1) bond lengths are 2.72 Å. All Tc(1)-Sn(1) bond lengths are 2.72 Å. Pt(1) is bonded in a 10-coordinate geometry to four equivalent Zr(1), three equivalent Tc(1), and three equivalent Sn(1) atoms. All Pt(1)-Sn(1) bond lengths are 2.72 Å. Sn(1) is bonded in a single-bond geometry to one Zr(1), three equivalent Tc(1), and three equivalent Pt(1) atoms.