data_TePPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.08
_cell_length_b   7.91
_cell_length_c   3.25
_cell_angle_alpha   81.25
_cell_angle_beta   75.34
_cell_angle_gamma   23.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TePPb
_chemical_formula_sum   'Te1 P1 Pb1'
_cell_volume   77.99
_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  Te2  1  0.98  0.58  0.01  1.0
  P  P0  1  0.98  0.58  0.19  1.0
  Pb  Pb1  1  0.98  0.58  0.42  1.0

data_TePPb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.95
_cell_length_b   15.31
_cell_length_c   3.25
_cell_angle_alpha   90.0
_cell_angle_beta   127.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TePPb
_chemical_formula_sum   'Te2 P2 Pb2'
_cell_volume   155.98
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.44  0.0  0.01  1.0
  P  P1  2  0.25  0.0  0.83  1.0
  Pb  Pb2  2  0.02  0.0  0.6  1.0

Te P Pb