data_Tl2SbSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.25
_cell_length_b   6.25
_cell_length_c   5.77
_cell_angle_alpha   103.78
_cell_angle_beta   103.78
_cell_angle_gamma   36.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2SbSe
_chemical_formula_sum   'Tl2 Sb1 Se1'
_cell_volume   128.71
_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  0.76  0.0  0.46  1.0
  Tl  Tl3  1  0.95  0.0  0.19  1.0
  Sb  Sb0  1  0.48  0.0  0.5  1.0
  Se  Se1  1  0.02  0.0  0.81  1.0

data_Tl2SbSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.88
_cell_length_b   5.77
_cell_length_c   6.25
_cell_angle_alpha   103.78
_cell_angle_beta   108.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2SbSe
_chemical_formula_sum   'Tl2 Sb1 Se1'
_cell_volume   128.71
_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  0.19  0.95  1.0
  Tl  Tl1  1  0.0  0.46  0.76  1.0
  Sb  Sb2  1  0.0  0.5  0.48  1.0
  Se  Se3  1  0.0  0.81  0.02  1.0

Tl Tl Sb Se