data_Si2TcHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.2
_cell_length_b   4.14
_cell_length_c   4.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2TcHg
_chemical_formula_sum   'Si2 Tc1 Hg1'
_cell_volume   65.7
_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  0.0  0.0  0.0  1.0
  Si  Si2  1  0.6  0.0  0.48  1.0
  Tc  Tc3  1  0.6  0.07  0.0  1.0
  Hg  Hg0  1  0.0  0.07  0.48  1.0

data_Si2TcHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   4.14
_cell_length_c   4.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2TcHg
_chemical_formula_sum   'Si2 Tc1 Hg1'
_cell_volume   65.7
_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  0.0  1.0
  Si  Si1  1  0.6  0.0  0.48  1.0
  Tc  Tc2  1  0.6  0.07  -0.0  1.0
  Hg  Hg3  1  0.0  0.07  0.48  1.0

Si Si Tc Hg
Si Si Tc Hg 0 2 - o o 1 3 + o o 