data_Tl2SiSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.95
_cell_length_b   3.59
_cell_length_c   7.78
_cell_angle_alpha   90.0
_cell_angle_beta   102.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2SiSe
_chemical_formula_sum   'Tl2 Si1 Se1'
_cell_volume   107.96
_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  0.73  0.8  0.44  1.0
  Tl  Tl3  1  0.07  0.0  0.46  1.0
  Si  Si1  1  0.74  0.0  0.9  1.0
  Se  Se0  1  0.88  0.8  0.6  1.0

data_Tl2SiSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.59
_cell_length_b   3.95
_cell_length_c   7.78
_cell_angle_alpha   102.19
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2SiSe
_chemical_formula_sum   'Tl2 Si1 Se1'
_cell_volume   107.96
_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  0.93  0.54  1.0
  Tl  Tl1  1  0.2  0.27  0.56  1.0
  Si  Si2  1  0.0  0.26  0.1  1.0
  Se  Se3  1  0.2  0.12  0.4  1.0

Tl Tl Si Se