data_TePPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   4.11
_cell_angle_alpha   91.13
_cell_angle_beta   91.13
_cell_angle_gamma   102.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TePPb2
_chemical_formula_sum   'Te1 P1 Pb2'
_cell_volume   112.37
_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
  Te  Te3  1  0.3  0.0  0.0  1.0
  P  P0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.59  0.07  0.06  1.0
  Pb  Pb2  1  0.59  0.93  0.06  1.0

data_TePPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.11
_cell_length_b   5.29
_cell_length_c   5.29
_cell_angle_alpha   102.73
_cell_angle_beta   91.13
_cell_angle_gamma   91.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TePPb2
_chemical_formula_sum   'Te1 P1 Pb2'
_cell_volume   112.37
_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
  Te  Te0  1  0.0  0.3  0.0  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.06  0.59  0.07  1.0
  Pb  Pb3  1  0.06  0.59  0.93  1.0

Te P Pb Pb