data_TlSn2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.65
_cell_length_b   6.65
_cell_length_c   6.65
_cell_angle_alpha   149.42
_cell_angle_beta   130.46
_cell_angle_gamma   59.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlSn2Hg
_chemical_formula_sum   'Tl1 Sn2 Hg1'
_cell_volume   112.81
_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  0.75  0.0  0.76  1.0
  Sn  Sn1  1  0.75  0.0  0.07  1.0
  Sn  Sn2  1  0.0  0.0  0.73  1.0
  Hg  Hg0  1  0.0  0.0  0.77  1.0

data_TlSn2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   5.57
_cell_length_c   6.65
_cell_angle_alpha   114.77
_cell_angle_beta   105.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlSn2Hg
_chemical_formula_sum   'Tl1 Sn2 Hg1'
_cell_volume   112.81
_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  0.76  0.0  1.0
  Sn  Sn1  1  0.0  0.07  0.32  1.0
  Sn  Sn2  1  0.0  0.73  0.73  1.0
  Hg  Hg3  1  0.0  0.77  0.77  1.0

Tl Sn Sn Hg