data_Tl2HgSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.89
_cell_length_b   5.89
_cell_length_c   6.11
_cell_angle_alpha   100.27
_cell_angle_beta   100.27
_cell_angle_gamma   34.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2HgSb
_chemical_formula_sum   'Tl2 Hg1 Sb1'
_cell_volume   117.52
_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  0.98  0.0  0.49  1.0
  Tl  Tl3  1  0.15  0.0  0.51  1.0
  Hg  Hg0  1  0.06  0.0  0.0  1.0
  Sb  Sb1  1  0.0  0.0  0.0  1.0

data_Tl2HgSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.47
_cell_length_b   5.89
_cell_length_c   6.11
_cell_angle_alpha   100.27
_cell_angle_beta   90.0
_cell_angle_gamma   107.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2HgSb
_chemical_formula_sum   'Tl2 Hg1 Sb1'
_cell_volume   117.52
_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  0.02  0.51  1.0
  Tl  Tl1  1  0.0  0.85  0.49  1.0
  Hg  Hg2  1  0.0  0.94  1.0  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0

Tl Tl Hg Sb