data_CuTcBi4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.26
_cell_length_b   6.26
_cell_length_c   6.26
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuTcBi4
_chemical_formula_sum   'Cu1 Tc1 Bi4'
_cell_volume   173.09
_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
  Cu  Cu4  1  0.0  0.0  0.0  1.0
  Tc  Tc5  1  0.21  0.21  0.21  1.0
  Bi  Bi0  1  0.32  0.32  0.53  1.0
  Bi  Bi1  1  0.32  0.53  0.32  1.0
  Bi  Bi2  1  0.53  0.32  0.32  1.0
  Bi  Bi3  1  0.53  0.53  0.53  1.0

data_CuTcBi4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.26
_cell_length_b   6.26
_cell_length_c   15.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CuTcBi4
_chemical_formula_sum   'Cu3 Tc3 Bi12'
_cell_volume   519.27
_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
  Cu  Cu0  3  0.0  0.0  0.0  1.0
  Tc  Tc1  3  0.0  0.0  0.79  1.0
  Bi  Bi2  9  0.07  0.14  0.61  1.0
  Bi  Bi3  3  0.0  0.0  0.47  1.0

Cu Tc Bi Bi Bi Bi
TcCuBi4 crystallizes in the trigonal R3m space group. Tc(1) is bonded in a 7-coordinate geometry to one Cu(1), three equivalent Bi(1), and three equivalent Bi(2) atoms. The Tc(1)-Cu(1) bond length is 3.24 Å. All Tc(1)-Bi(1) bond lengths are 2.82 Å. All Tc(1)-Bi(2) bond lengths are 3.62 Å. Cu(1) is bonded in a 4-coordinate geometry to one Tc(1) and three equivalent Bi(1) atoms. All Cu(1)-Bi(1) bond lengths are 2.99 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(2) is bonded in a 6-coordinate geometry to three equivalent Tc(1) and three equivalent Bi(1) atoms. All Bi(2)-Bi(1) bond lengths are 2.23 Å. In the second Bi site, Bi(1) is bonded in a 5-coordinate geometry to one Tc(1), one Cu(1), one Bi(2), and two equivalent Bi(1) atoms. Both Bi(1)-Bi(1) bond lengths are 1.29 Å.