data_TcB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78
_cell_length_b   5.78
_cell_length_c   5.78
_cell_angle_alpha   149.68
_cell_angle_beta   147.76
_cell_angle_gamma   44.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcB2
_chemical_formula_sum   'Tc2 B4'
_cell_volume   51.72
_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  Tc4  1  0.0  0.8  0.02  1.0
  Tc  Tc5  1  0.51  0.8  0.32  1.0
  B  B0  1  0.51  0.2  0.92  1.0
  B  B1  1  0.0  0.41  0.42  1.0
  B  B2  1  0.51  0.2  0.1  1.0
  B  B3  1  0.0  0.41  0.24  1.0

data_TcB2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.02
_cell_length_b   3.21
_cell_length_c   5.78
_cell_angle_alpha   106.12
_cell_angle_beta   105.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TcB2
_chemical_formula_sum   'Tc2 B4'
_cell_volume   51.72
_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  0.0  0.15  0.9  1.0
  B  B1  2  0.4  0.65  0.9  1.0
  B  B2  2  0.4  0.46  0.72  1.0

Tc Tc B B B B