data_CrTcSnAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.51
_cell_length_b   4.51
_cell_length_c   4.51
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrTcSnAu
_chemical_formula_sum   'Cr1 Tc1 Sn1 Au1'
_cell_volume   64.69
_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
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.19  0.19  0.19  1.0
  Sn  Sn2  1  0.78  0.78  0.78  1.0
  Au  Au0  1  0.59  0.59  0.59  1.0

data_CrTcSnAu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.51
_cell_length_b   4.51
_cell_length_c   11.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CrTcSnAu
_chemical_formula_sum   'Cr3 Tc3 Sn3 Au3'
_cell_volume   194.08
_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
  Cr  Cr0  3  0.0  0.0  0.0  1.0
  Tc  Tc1  3  0.0  0.0  0.81  1.0
  Sn  Sn2  3  0.0  0.0  0.22  1.0
  Au  Au3  3  0.0  0.0  0.41  1.0

Cr Tc Sn Au
Cr Tc Sn Au 0 2 - - - 0 3 - - o 0 3 - o - 0 3 o - - 0 1 o o o 1 2 - - o 1 2 - o - 1 2 o - - 1 3 - o o 1 3 o - o 1 3 o o - 2 3 o o o 
CrTcAuSn crystallizes in the trigonal R3m space group. Cr(1) is bonded in a 5-coordinate geometry to one Tc(1), three equivalent Au(1), and one Sn(1) atom. The Cr(1)-Tc(1) bond length is 2.06 Å. All Cr(1)-Au(1) bond lengths are 2.73 Å. The Cr(1)-Sn(1) bond length is 2.44 Å. Tc(1) is bonded in a 4-coordinate geometry to one Cr(1) and three equivalent Au(1) atoms. All Tc(1)-Au(1) bond lengths are 2.73 Å. Au(1) is bonded in a 1-coordinate geometry to three equivalent Cr(1), three equivalent Tc(1), and one Sn(1) atom. The Au(1)-Sn(1) bond length is 2.06 Å. Sn(1) is bonded in a 2-coordinate geometry to one Cr(1) and one Au(1) atom.