data_Si2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   4.53
_cell_angle_alpha   140.28
_cell_angle_beta   137.81
_cell_angle_gamma   59.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2Tc
_chemical_formula_sum   'Si2 Tc1'
_cell_volume   39.4
_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  0.0  0.63  1.0
  Si  Si1  1  0.0  0.0  0.24  1.0
  Tc  Tc2  1  0.0  0.0  0.0  1.0

data_Si2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   3.26
_cell_length_c   4.53
_cell_angle_alpha   111.1
_cell_angle_beta   109.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2Tc
_chemical_formula_sum   'Si2 Tc1'
_cell_volume   39.4
_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  0.0  0.0  0.0  1.0
  Si  Si1  1  0.37  0.37  0.37  1.0
  Si  Si2  1  0.76  0.76  0.76  1.0

Si Si Tc
Si Si Tc 0 1 o o o 0 2 o o + 1 2 o o o 