data_TePd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.05
_cell_length_b   6.05
_cell_length_c   6.91
_cell_angle_alpha   116.74
_cell_angle_beta   116.74
_cell_angle_gamma   36.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TePd
_chemical_formula_sum   'Te3 Pd3'
_cell_volume   131.92
_cell_formula_units_Z   3
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  0.17  0.0  0.79  1.0
  Te  Te4  1  0.06  0.0  0.16  1.0
  Te  Te5  1  0.25  0.0  0.07  1.0
  Pd  Pd0  1  0.2  0.0  0.87  1.0
  Pd  Pd1  1  0.54  0.0  0.03  1.0
  Pd  Pd2  1  0.0  0.0  0.34  1.0

data_TePd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.77
_cell_length_b   6.05
_cell_length_c   6.83
_cell_angle_alpha   64.51
_cell_angle_beta   73.98
_cell_angle_gamma   71.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TePd
_chemical_formula_sum   'Te3 Pd3'
_cell_volume   131.92
_cell_formula_units_Z   3
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  0.17  0.07  1.0
  Te  Te1  1  0.0  0.37  0.79  1.0
  Te  Te2  1  0.0  0.89  0.16  1.0
  Pd  Pd3  1  0.0  0.34  0.87  1.0
  Pd  Pd4  1  0.0  0.51  0.03  1.0
  Pd  Pd5  1  0.0  0.66  0.34  1.0

Te Te Te Pd Pd Pd