data_Tl2BiTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.09
_cell_length_b   6.09
_cell_length_c   6.09
_cell_angle_alpha   130.59
_cell_angle_beta   130.59
_cell_angle_gamma   72.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2BiTe
_chemical_formula_sum   'Tl2 Bi1 Te1'
_cell_volume   127.56
_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  0.0  0.55  0.46  1.0
  Tl  Tl3  1  0.0  0.0  0.92  1.0
  Bi  Bi0  1  0.55  0.0  0.46  1.0
  Te  Te1  1  0.0  0.0  0.0  1.0

data_Tl2BiTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   6.09
_cell_angle_alpha   114.71
_cell_angle_beta   114.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2BiTe
_chemical_formula_sum   'Tl2 Bi1 Te1'
_cell_volume   127.56
_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  0.91  0.46  0.91  1.0
  Tl  Tl1  1  0.92  0.92  0.92  1.0
  Bi  Bi2  1  0.46  0.91  0.91  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0

Tl Tl Bi Te