data_TcB2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.45
_cell_length_b   3.4
_cell_length_c   5.14
_cell_angle_alpha   90.0
_cell_angle_beta   97.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcB2Cl
_chemical_formula_sum   'Tc1 B2 Cl1'
_cell_volume   59.86
_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  0.73  0.7  0.66  1.0
  B  B0  1  0.1  0.0  0.6  1.0
  B  B1  1  0.37  0.7  0.84  1.0
  Cl  Cl2  1  0.83  0.0  0.65  1.0

data_TcB2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.4
_cell_length_b   3.45
_cell_length_c   5.14
_cell_angle_alpha   97.11
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcB2Cl
_chemical_formula_sum   'Tc1 B2 Cl1'
_cell_volume   59.86
_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  0.3  0.27  0.34  1.0
  B  B1  1  0.0  0.9  0.4  1.0
  B  B2  1  0.3  0.63  0.16  1.0
  Cl  Cl3  1  0.0  0.17  0.35  1.0

Tc B B Cl