data_SiTcHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.16
_cell_length_b   6.92
_cell_length_c   2.92
_cell_angle_alpha   82.56
_cell_angle_beta   73.59
_cell_angle_gamma   23.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiTcHg
_chemical_formula_sum   'Si1 Tc1 Hg1'
_cell_volume   52.92
_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  0.62  0.43  0.19  1.0
  Tc  Tc2  1  0.62  0.43  0.22  1.0
  Hg  Hg0  1  0.62  0.43  0.05  1.0

data_SiTcHg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.24
_cell_length_b   13.46
_cell_length_c   2.92
_cell_angle_alpha   90.0
_cell_angle_beta   123.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SiTcHg
_chemical_formula_sum   'Si2 Tc2 Hg2'
_cell_volume   105.83
_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  0.43  0.0  0.16  1.0
  Si  Si1  2  0.43  0.0  0.19  1.0
  Hg  Hg2  2  0.43  0.0  0.33  1.0

Si Tc Hg
Si Tc Hg 0 1 o o o 0 2 o o o 1 2 o o o 