data_Tl2TePb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.44
_cell_length_b   6.44
_cell_length_c   5.85
_cell_angle_alpha   98.5
_cell_angle_beta   98.5
_cell_angle_gamma   31.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2TePb
_chemical_formula_sum   'Tl2 Te1 Pb1'
_cell_volume   126.44
_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  0.07  0.0  0.42  1.0
  Tl  Tl3  1  0.42  0.0  0.37  1.0
  Te  Te1  1  0.0  0.0  0.0  1.0
  Pb  Pb0  1  0.74  0.0  0.89  1.0

data_Tl2TePb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.53
_cell_length_b   5.85
_cell_length_c   6.44
_cell_angle_alpha   98.5
_cell_angle_beta   105.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2TePb
_chemical_formula_sum   'Tl2 Te1 Pb1'
_cell_volume   126.44
_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  0.37  0.42  1.0
  Tl  Tl1  1  0.0  0.42  0.07  1.0
  Te  Te2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.89  0.74  1.0

Tl Tl Te Pb