data_Tl2SnHgSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.84
_cell_length_b   6.84
_cell_length_c   6.84
_cell_angle_alpha   105.52
_cell_angle_beta   105.52
_cell_angle_gamma   117.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2SnHgSe4
_chemical_formula_sum   'Tl2 Sn1 Hg1 Se4'
_cell_volume   242.15
_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  0.14  0.0  1.0
  Tl  Tl1  1  0.14  0.0  0.0  1.0
  Sn  Sn2  1  0.0  0.0  0.0  1.0
  Hg  Hg3  1  0.0  0.0  0.54  1.0
  Se  Se4  1  0.41  0.41  0.44  1.0
  Se  Se5  1  0.72  0.72  0.9  1.0
  Se  Se6  1  0.41  0.59  0.63  1.0
  Se  Se7  1  0.59  0.41  0.63  1.0

data_Tl2SnHgSe4
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.07
_cell_length_b   11.7
_cell_length_c   6.84
_cell_angle_alpha   90.0
_cell_angle_beta   121.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tl2SnHgSe4
_chemical_formula_sum   'Tl4 Sn2 Hg2 Se8'
_cell_volume   484.3
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.07  0.07  0.0  1.0
  Sn  Sn1  2  0.0  0.0  0.0  1.0
  Hg  Hg2  2  0.46  0.0  0.46  1.0
  Se  Se3  4  0.37  0.41  0.37  1.0
  Se  Se4  2  0.32  0.5  0.1  1.0
  Se  Se5  2  0.47  0.5  0.56  1.0

Tl Tl Sn Hg Se Se Se Se