data_TlTcHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.66
_cell_length_b   5.66
_cell_length_c   5.63
_cell_angle_alpha   116.26
_cell_angle_beta   116.26
_cell_angle_gamma   32.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlTcHg2
_chemical_formula_sum   'Tl1 Tc1 Hg2'
_cell_volume   87.08
_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
  Tl  Tl3  1  0.53  0.0  0.78  1.0
  Tc  Tc2  1  0.52  0.0  0.93  1.0
  Hg  Hg0  1  0.31  0.0  0.77  1.0
  Hg  Hg1  1  0.3  0.0  0.01  1.0

data_TlTcHg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   5.63
_cell_length_c   5.66
_cell_angle_alpha   116.26
_cell_angle_beta   106.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlTcHg2
_chemical_formula_sum   'Tl1 Tc1 Hg2'
_cell_volume   87.08
_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
  Tl  Tl0  1  0.0  0.78  0.53  1.0
  Tc  Tc1  1  0.0  0.93  0.52  1.0
  Hg  Hg2  1  0.0  0.01  0.3  1.0
  Hg  Hg3  1  0.0  0.77  0.31  1.0

Tl Tc Hg Hg