data_YCr4Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   4.98
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCr4Tc
_chemical_formula_sum   'Y1 Cr4 Tc1'
_cell_volume   87.35
_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
  Y  Y5  1  0.0  0.0  0.0  1.0
  Cr  Cr0  1  0.39  0.39  0.65  1.0
  Cr  Cr1  1  0.39  0.65  0.39  1.0
  Cr  Cr2  1  0.65  0.39  0.39  1.0
  Cr  Cr3  1  0.65  0.65  0.65  1.0
  Tc  Tc4  1  0.28  0.28  0.28  1.0

data_YCr4Tc
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   12.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   YCr4Tc
_chemical_formula_sum   'Y3 Cr12 Tc3'
_cell_volume   262.04
_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
  Y  Y0  3  0.0  0.0  0.0  1.0
  Cr  Cr1  9  0.08  0.17  0.52  1.0
  Cr  Cr2  3  0.0  0.0  0.35  1.0
  Tc  Tc3  3  0.0  0.0  0.72  1.0

Y Cr Cr Cr Cr Tc
YCr4Tc crystallizes in the trigonal R3m space group. Y(1) is bonded in a 9-coordinate geometry to three equivalent Cr(1), three equivalent Cr(2), and three equivalent Tc(1) atoms. All Y(1)-Cr(1) bond lengths are 2.79 Å. All Y(1)-Cr(2) bond lengths are 2.88 Å. All Y(1)-Tc(1) bond lengths are 2.94 Å. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 2-coordinate geometry to one Y(1), one Cr(2), two equivalent Cr(1), and two equivalent Tc(1) atoms. The Cr(1)-Cr(2) bond length is 2.19 Å. Both Cr(1)-Cr(1) bond lengths are 1.27 Å. There is one shorter (2.51 Å) and one longer (2.72 Å) Cr(1)-Tc(1) bond length. In the second Cr site, Cr(2) is bonded in a 9-coordinate geometry to three equivalent Y(1), three equivalent Cr(1), and three equivalent Tc(1) atoms. All Cr(2)-Tc(1) bond lengths are 2.90 Å. Tc(1) is bonded in a 12-coordinate geometry to three equivalent Y(1), three equivalent Cr(2), and six equivalent Cr(1) atoms.