data_CrTc2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.5
_cell_length_b   4.5
_cell_length_c   4.5
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrTc2Bi
_chemical_formula_sum   'Cr1 Tc2 Bi1'
_cell_volume   64.59
_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  Tc2  1  0.78  0.78  0.78  1.0
  Tc  Tc3  1  0.18  0.18  0.18  1.0
  Bi  Bi0  1  0.59  0.59  0.59  1.0

data_CrTc2Bi
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.5
_cell_length_b   4.5
_cell_length_c   11.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CrTc2Bi
_chemical_formula_sum   'Cr3 Tc6 Bi3'
_cell_volume   193.76
_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  0.22  1.0
  Tc  Tc2  3  0.0  0.0  0.82  1.0
  Bi  Bi3  3  0.0  0.0  0.41  1.0

Cr Tc Tc Bi
CrTc2Bi crystallizes in the trigonal R3m space group. Cr(1) is bonded in a 11-coordinate geometry to four equivalent Tc(1), four equivalent Tc(2), and three equivalent Bi(1) atoms. There is one shorter (2.46 Å) and three longer (2.87 Å) Cr(1)-Tc(1) bond lengths. There is one shorter (2.04 Å) and three longer (3.08 Å) Cr(1)-Tc(2) bond lengths. All Cr(1)-Bi(1) bond lengths are 2.73 Å. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a distorted linear geometry to four equivalent Cr(1) and one Bi(1) atom. The Tc(1)-Bi(1) bond length is 2.04 Å. In the second Tc site, Tc(2) is bonded in a distorted single-bond geometry to four equivalent Cr(1) atoms. Bi(1) is bonded in a 1-coordinate geometry to three equivalent Cr(1) and one Tc(1) atom.