data_Bi2Te5Pb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.52
_cell_length_b   4.52
_cell_length_c   18.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi2Te5Pb2
_chemical_formula_sum   'Bi2 Te5 Pb2'
_cell_volume   318.44
_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
  Bi  Bi0  1  0.0  0.61  0.02  1.0
  Bi  Bi1  1  0.26  0.3  0.02  1.0
  Te  Te4  1  0.0  0.0  0.0  1.0
  Te  Te5  1  0.26  0.3  0.73  1.0
  Te  Te6  1  0.0  0.61  0.74  1.0
  Te  Te7  1  0.26  0.3  0.29  1.0
  Te  Te8  1  0.0  0.61  0.31  1.0
  Pb  Pb2  1  0.0  0.0  0.14  1.0
  Pb  Pb3  1  0.0  0.0  0.89  1.0

data_Bi2Te5Pb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.52
_cell_length_b   4.52
_cell_length_c   18.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi2Te5Pb2
_chemical_formula_sum   'Bi2 Te5 Pb2'
_cell_volume   318.44
_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
  Bi  Bi0  1  0.0  0.61  0.02  1.0
  Bi  Bi1  1  0.26  0.3  0.02  1.0
  Te  Te2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.0  0.61  0.31  1.0
  Te  Te4  1  0.0  0.61  0.74  1.0
  Te  Te5  1  0.26  0.3  0.29  1.0
  Te  Te6  1  0.26  0.3  0.73  1.0
  Pb  Pb7  1  0.0  0.0  0.14  1.0
  Pb  Pb8  1  0.0  0.0  0.89  1.0

Bi Bi Te Te Te Te Te Pb Pb