data_TePb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.92
_cell_length_b   6.92
_cell_length_c   6.92
_cell_angle_alpha   140.95
_cell_angle_beta   140.95
_cell_angle_gamma   56.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TePb
_chemical_formula_sum   'Te2 Pb2'
_cell_volume   130.25
_cell_formula_units_Z   2
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
  Te  Te2  1  0.0  0.31  0.05  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0
  Pb  Pb0  1  0.31  0.0  0.05  1.0
  Pb  Pb1  1  0.0  0.0  0.09  1.0

data_TePb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   6.92
_cell_angle_alpha   109.52
_cell_angle_beta   109.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TePb
_chemical_formula_sum   'Te2 Pb2'
_cell_volume   130.25
_cell_formula_units_Z   2
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
  Te  Te0  1  0.0  0.0  0.0  1.0
  Te  Te1  1  0.26  0.31  0.26  1.0
  Pb  Pb2  1  0.91  0.0  0.91  1.0
  Pb  Pb3  1  0.95  0.0  0.26  1.0

Te Te Pb Pb