data_TlSnHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.61
_cell_length_b   5.61
_cell_length_c   3.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   96.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlSnHg2
_chemical_formula_sum   'Tl1 Sn1 Hg2'
_cell_volume   109.43
_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  0.74  0.0  0.0  1.0
  Sn  Sn2  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.87  0.91  0.75  1.0
  Hg  Hg1  1  0.87  0.09  0.75  1.0

data_TlSnHg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   5.61
_cell_length_c   5.61
_cell_angle_alpha   96.45
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlSnHg2
_chemical_formula_sum   'Tl1 Sn1 Hg2'
_cell_volume   109.43
_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  0.74  0.0  1.0
  Sn  Sn1  1  0.0  0.0  0.0  1.0
  Hg  Hg2  1  0.75  0.87  0.09  1.0
  Hg  Hg3  1  0.75  0.87  0.91  1.0

Tl Sn Hg Hg