data_Tl2TcB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   3.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2TcB
_chemical_formula_sum   'Tl2 Tc1 B1'
_cell_volume   72.52
_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
  Tl  Tl2  1  0.37  0.04  0.68  1.0
  Tl  Tl3  1  0.37  0.96  0.68  1.0
  Tc  Tc1  1  0.74  0.0  0.0  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_Tl2TcB
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.37
_cell_length_b   4.79
_cell_length_c   4.79
_cell_angle_alpha   110.12
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2TcB
_chemical_formula_sum   'Tl2 Tc1 B1'
_cell_volume   72.52
_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
  Tl  Tl0  1  0.68  0.37  0.04  1.0
  Tl  Tl1  1  0.68  0.37  0.96  1.0
  Tc  Tc2  1  -0.0  0.74  0.0  1.0
  B  B3  1  0.0  0.0  0.0  1.0

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