data_TcHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   9.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcHg2
_chemical_formula_sum   'Tc4 Hg8'
_cell_volume   241.9
_cell_formula_units_Z   4
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  Tc8  1  0.0  0.18  0.38  1.0
  Tc  Tc9  1  0.0  0.18  0.23  1.0
  Tc  Tc10  1  0.75  0.59  0.99  1.0
  Tc  Tc11  1  0.75  0.59  0.83  1.0
  Hg  Hg0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.0  0.0  0.61  1.0
  Hg  Hg2  1  0.0  0.63  0.91  1.0
  Hg  Hg3  1  0.66  0.95  0.91  1.0
  Hg  Hg4  1  0.41  0.82  0.3  1.0
  Hg  Hg5  1  0.34  0.95  0.91  1.0
  Hg  Hg6  1  0.09  0.82  0.3  1.0
  Hg  Hg7  1  0.75  0.14  0.3  1.0

data_TcHg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   9.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcHg2
_chemical_formula_sum   'Tc4 Hg8'
_cell_volume   241.9
_cell_formula_units_Z   4
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  0.18  0.23  1.0
  Tc  Tc1  1  0.0  0.18  0.38  1.0
  Tc  Tc2  1  0.75  0.59  0.83  1.0
  Tc  Tc3  1  0.75  0.59  0.99  1.0
  Hg  Hg4  1  0.0  0.0  0.0  1.0
  Hg  Hg5  1  0.0  0.0  0.61  1.0
  Hg  Hg6  1  0.0  0.63  0.91  1.0
  Hg  Hg7  1  0.09  0.82  0.3  1.0
  Hg  Hg8  1  0.34  0.95  0.91  1.0
  Hg  Hg9  1  0.41  0.82  0.3  1.0
  Hg  Hg10  1  0.66  0.95  0.91  1.0
  Hg  Hg11  1  0.75  0.14  0.3  1.0

Tc Tc Tc Tc Hg Hg Hg Hg Hg Hg Hg Hg