data_TcBi2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   5.21
_cell_angle_alpha   139.78
_cell_angle_beta   119.12
_cell_angle_gamma   75.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcBi2B
_chemical_formula_sum   'Tc1 Bi2 B1'
_cell_volume   77.86
_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  0.0  0.0  0.12  1.0
  Bi  Bi1  1  0.0  0.64  0.38  1.0
  Bi  Bi2  1  0.79  0.0  0.73  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_TcBi2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.58
_cell_length_b   5.21
_cell_length_c   5.21
_cell_angle_alpha   60.88
_cell_angle_beta   69.89
_cell_angle_gamma   69.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcBi2B
_chemical_formula_sum   'Tc1 Bi2 B1'
_cell_volume   77.86
_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  0.0  -0.0  0.12  1.0
  Bi  Bi1  1  0.0  0.21  0.73  1.0
  Bi  Bi2  1  0.64  -0.0  0.74  1.0
  B  B3  1  0.0  0.0  0.0  1.0

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