data_TlSbTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.54
_cell_length_b   6.54
_cell_length_c   3.26
_cell_angle_alpha   99.56
_cell_angle_beta   99.56
_cell_angle_gamma   116.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlSbTe2
_chemical_formula_sum   'Tl1 Sb1 Te2'
_cell_volume   118.4
_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  0.44  0.0  0.0  1.0
  Sb  Sb0  1  0.0  0.0  0.0  1.0
  Te  Te1  1  0.2  0.78  0.55  1.0
  Te  Te2  1  0.2  0.22  0.55  1.0

data_TlSbTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   6.54
_cell_length_c   6.54
_cell_angle_alpha   116.59
_cell_angle_beta   99.56
_cell_angle_gamma   99.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlSbTe2
_chemical_formula_sum   'Tl1 Sb1 Te2'
_cell_volume   118.4
_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  0.44  0.0  1.0
  Sb  Sb1  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.55  0.2  0.22  1.0
  Te  Te3  1  0.55  0.2  0.78  1.0

Tl Sb Te Te