data_TePdPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.4
_cell_length_b   6.4
_cell_length_c   6.4
_cell_angle_alpha   148.74
_cell_angle_beta   127.18
_cell_angle_gamma   62.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TePdPb2
_chemical_formula_sum   'Te1 Pd1 Pb2'
_cell_volume   107.33
_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  0.0  0.85  0.21  1.0
  Pd  Pd2  1  0.0  0.0  0.53  1.0
  Pb  Pb0  1  0.0  0.0  0.04  1.0
  Pb  Pb1  1  0.72  0.0  0.16  1.0

data_TePdPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   5.69
_cell_length_c   6.4
_cell_angle_alpha   116.41
_cell_angle_beta   105.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TePdPb2
_chemical_formula_sum   'Te1 Pd1 Pb2'
_cell_volume   107.33
_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  0.15  0.36  0.36  1.0
  Pd  Pd1  1  0.0  0.53  0.53  1.0
  Pb  Pb2  1  0.0  0.04  0.04  1.0
  Pb  Pb3  1  0.0  0.16  0.44  1.0

Te Pd Pb Pb