data_TlTc2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   4.83
_cell_angle_alpha   132.98
_cell_angle_beta   132.98
_cell_angle_gamma   68.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlTc2B
_chemical_formula_sum   'Tl1 Tc2 B1'
_cell_volume   59.26
_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  Tl3  1  0.0  0.93  0.99  1.0
  Tc  Tc1  1  0.93  0.0  0.99  1.0
  Tc  Tc2  1  0.0  0.0  0.99  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_TlTc2B
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.45
_cell_length_b   5.45
_cell_length_c   4.83
_cell_angle_alpha   90.0
_cell_angle_beta   124.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlTc2B
_chemical_formula_sum   'Tl2 Tc4 B2'
_cell_volume   118.53
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.07  0.0  0.07  1.0
  Tc  Tc1  2  0.49  0.5  0.99  1.0
  Tc  Tc2  2  0.49  0.5  0.07  1.0
  B  B3  2  0.5  0.5  0.0  1.0

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