data_TcB3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.04
_cell_length_b   4.04
_cell_length_c   4.04
_cell_angle_alpha   139.13
_cell_angle_beta   128.68
_cell_angle_gamma   67.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcB3
_chemical_formula_sum   'Tc1 B3'
_cell_volume   33.15
_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
  Tc  Tc3  1  0.0  0.0  0.36  1.0
  B  B0  1  0.41  0.0  0.54  1.0
  B  B1  1  0.0  0.75  0.82  1.0
  B  B2  1  0.0  0.0  0.0  1.0

data_TcB3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   3.5
_cell_length_c   4.04
_cell_angle_alpha   115.66
_cell_angle_beta   110.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcB3
_chemical_formula_sum   'Tc1 B3'
_cell_volume   33.15
_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
  Tc  Tc0  1  0.64  0.64  0.64  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  B  B2  1  0.18  0.93  0.93  1.0
  B  B3  1  0.87  0.46  0.87  1.0

Tc B B B