data_Si2TcB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.34
_cell_length_b   4.34
_cell_length_c   4.15
_cell_angle_alpha   90.02
_cell_angle_beta   90.02
_cell_angle_gamma   39.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2TcB
_chemical_formula_sum   'Si2 Tc1 B1'
_cell_volume   50.18
_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
  Si  Si1  1  0.3  0.0  0.05  1.0
  Si  Si2  1  0.25  0.0  0.27  1.0
  Tc  Tc3  1  0.99  0.0  0.13  1.0
  B  B0  1  0.71  0.0  0.77  1.0

data_Si2TcB
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   4.15
_cell_length_c   4.34
_cell_angle_alpha   90.02
_cell_angle_beta   109.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2TcB
_chemical_formula_sum   'Si2 Tc1 B1'
_cell_volume   50.18
_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
  Si  Si0  1  0.0  0.05  0.3  1.0
  Tc  Tc1  1  0.0  0.13  0.99  1.0
  Si  Si2  1  0.0  0.27  0.25  1.0
  B  B3  1  0.0  0.77  0.71  1.0

Si Si Tc B