data_TcB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.81
_cell_length_b   2.81
_cell_length_c   6.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcB
_chemical_formula_sum   'Tc2 B2'
_cell_volume   43.74
_cell_formula_units_Z   2
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
  Tc  Tc2  1  0.52  0.18  0.22  1.0
  Tc  Tc3  1  0.52  0.82  0.86  1.0
  B  B0  1  0.52  0.18  0.38  1.0
  B  B1  1  0.52  0.82  0.7  1.0

data_TcB
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.81
_cell_length_b   2.81
_cell_length_c   6.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.29
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TcB
_chemical_formula_sum   'Tc2 B2'
_cell_volume   43.74
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Tc  Tc0  2  0.5  0.18  0.18  1.0
  B  B1  2  0.5  0.18  0.34  1.0

Tc Tc B B