data_TcSnB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   145.63
_cell_angle_beta   145.63
_cell_angle_gamma   49.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcSnB
_chemical_formula_sum   'Tc1 Sn1 B1'
_cell_volume   44.2
_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  0.0  0.0  0.62  1.0
  Sn  Sn1  1  0.0  0.0  0.35  1.0
  B  B0  1  0.0  0.0  0.87  1.0

data_TcSnB
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.33
_cell_length_b   4.33
_cell_length_c   5.18
_cell_angle_alpha   90.0
_cell_angle_beta   114.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TcSnB
_chemical_formula_sum   'Tc2 Sn2 B2'
_cell_volume   88.39
_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
  Tc  Tc0  2  0.12  0.5  0.62  1.0
  Sn  Sn1  2  0.35  0.0  0.35  1.0
  B  B2  2  0.37  0.5  0.87  1.0

Tc Sn B