data_TcBi2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.66
_cell_length_b   3.66
_cell_length_c   7.95
_cell_angle_alpha   105.88
_cell_angle_beta   105.88
_cell_angle_gamma   60.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcBi2B
_chemical_formula_sum   'Tc1 Bi2 B1'
_cell_volume   87.75
_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  0.96  0.0  0.83  1.0
  Bi  Bi1  1  0.82  0.0  0.76  1.0
  Bi  Bi2  1  0.85  0.0  0.87  1.0
  B  B0  1  0.07  0.0  0.86  1.0

data_TcBi2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.66
_cell_length_b   3.66
_cell_length_c   7.79
_cell_angle_alpha   92.74
_cell_angle_beta   100.98
_cell_angle_gamma   119.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcBi2B
_chemical_formula_sum   'Tc1 Bi2 B1'
_cell_volume   87.75
_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  0.13  0.0  0.17  1.0
  Bi  Bi1  1  0.06  0.0  0.24  1.0
  Bi  Bi2  1  0.98  0.0  0.13  1.0
  B  B3  1  0.22  0.0  0.14  1.0

Tc Bi Bi B
Tc Bi Bi B 0 3 + o o 0 1 o o o 0 2 o o o 