data_Tc2SnB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.98
_cell_length_b   2.98
_cell_length_c   7.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2SnB
_chemical_formula_sum   'Tc2 Sn1 B1'
_cell_volume   59.1
_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  0.58  0.0  0.0  1.0
  Tc  Tc3  1  0.58  0.0  0.41  1.0
  Sn  Sn1  1  0.0  0.0  0.71  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_Tc2SnB
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   2.98
_cell_length_c   7.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2SnB
_chemical_formula_sum   'Tc2 Sn1 B1'
_cell_volume   59.1
_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  0.58  0.0  0.0  1.0
  Tc  Tc1  1  0.58  0.0  0.41  1.0
  Sn  Sn2  1  0.0  0.0  0.71  1.0
  B  B3  1  0.0  0.0  0.0  1.0

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