data_Tl2SnHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.41
_cell_length_b   5.26
_cell_length_c   6.64
_cell_angle_alpha   90.0
_cell_angle_beta   103.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2SnHg
_chemical_formula_sum   'Tl2 Sn1 Hg1'
_cell_volume   115.89
_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  Tl2  1  0.61  0.63  0.33  1.0
  Tl  Tl3  1  0.0  0.0  0.8  1.0
  Sn  Sn1  1  0.23  0.0  0.85  1.0
  Hg  Hg0  1  0.47  0.63  0.18  1.0

data_Tl2SnHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   5.26
_cell_length_c   6.64
_cell_angle_alpha   90.0
_cell_angle_beta   103.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2SnHg
_chemical_formula_sum   'Tl2 Sn1 Hg1'
_cell_volume   115.89
_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  0.0  0.8  1.0
  Tl  Tl1  1  0.61  0.63  0.33  1.0
  Sn  Sn2  1  0.23  0.0  0.85  1.0
  Hg  Hg3  1  0.47  0.63  0.18  1.0

Tl Tl Sn Hg