data_Tc2BSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   4.8
_cell_angle_alpha   142.91
_cell_angle_beta   118.21
_cell_angle_gamma   74.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2BSb
_chemical_formula_sum   'Tc2 B1 Sb1'
_cell_volume   57.62
_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  Tc2  1  0.53  0.0  0.49  1.0
  Tc  Tc3  1  0.0  0.47  0.33  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.0  0.0  0.83  1.0

data_Tc2BSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   4.8
_cell_length_c   4.8
_cell_angle_alpha   61.79
_cell_angle_beta   71.46
_cell_angle_gamma   71.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2BSb
_chemical_formula_sum   'Tc2 B1 Sb1'
_cell_volume   57.62
_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  0.0  0.47  0.49  1.0
  Tc  Tc1  1  0.47  -0.0  0.87  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.0  -0.0  0.83  1.0

Tc Tc B Sb
Tc Tc B Sb 0 2 o o o 0 2 + o + 0 1 + o + 0 3 + o o 1 3 o + o 1 3 o o - 1 2 o o o 2 3 o o - 