data_Tc2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   5.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2Hg
_chemical_formula_sum   'Tc4 Hg2'
_cell_volume   99.54
_cell_formula_units_Z   2
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  0.0  1.0
  Tc  Tc3  1  0.0  0.0  0.72  1.0
  Tc  Tc4  1  0.0  0.65  0.36  1.0
  Tc  Tc5  1  0.3  0.33  0.08  1.0
  Hg  Hg0  1  0.0  0.65  0.08  1.0
  Hg  Hg1  1  0.3  0.33  0.36  1.0

data_Tc2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   5.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2Hg
_chemical_formula_sum   'Tc4 Hg2'
_cell_volume   99.54
_cell_formula_units_Z   2
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
  Tc  Tc1  1  0.0  0.0  0.72  1.0
  Tc  Tc2  1  0.0  0.65  0.36  1.0
  Tc  Tc3  1  0.3  0.33  0.08  1.0
  Hg  Hg4  1  0.0  0.65  0.08  1.0
  Hg  Hg5  1  0.3  0.33  0.36  1.0

Tc Tc Tc Tc Hg Hg