data_Tc2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.71
_cell_length_b   6.71
_cell_length_c   4.07
_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   'Tc6 Hg3'
_cell_volume   158.76
_cell_formula_units_Z   3
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  Tc3  1  0.21  0.36  0.03  1.0
  Tc  Tc4  1  0.01  0.45  0.0  1.0
  Tc  Tc5  1  0.57  0.0  0.03  1.0
  Tc  Tc6  1  0.57  0.45  0.03  1.0
  Tc  Tc7  1  0.98  0.0  0.0  1.0
  Tc  Tc8  1  0.37  0.37  0.0  1.0
  Hg  Hg0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.0  0.88  0.03  1.0
  Hg  Hg2  1  0.36  0.94  0.03  1.0

data_Tc2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.07
_cell_length_b   6.71
_cell_length_c   6.71
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2Hg
_chemical_formula_sum   'Tc6 Hg3'
_cell_volume   158.76
_cell_formula_units_Z   3
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  0.01  0.45  1.0
  Tc  Tc1  1  -0.0  0.37  0.37  1.0
  Tc  Tc2  1  0.0  0.98  0.0  1.0
  Tc  Tc3  1  0.03  0.21  0.36  1.0
  Tc  Tc4  1  0.03  0.57  0.45  1.0
  Tc  Tc5  1  0.03  0.57  0.0  1.0
  Hg  Hg6  1  0.0  0.0  0.0  1.0
  Hg  Hg7  1  0.03  0.0  0.88  1.0
  Hg  Hg8  1  0.03  0.36  0.94  1.0

Tc Tc Tc Tc Tc Tc Hg Hg Hg