data_TePd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.76
_cell_length_b   5.76
_cell_length_c   5.76
_cell_angle_alpha   141.04
_cell_angle_beta   135.71
_cell_angle_gamma   60.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TePd
_chemical_formula_sum   'Te2 Pd2'
_cell_volume   83.22
_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  0.09  0.77  1.0
  Te  Te3  1  0.92  0.09  0.21  1.0
  Pd  Pd0  1  0.92  0.91  0.83  1.0
  Pd  Pd1  1  0.0  0.26  0.15  1.0

data_TePd
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.84
_cell_length_b   4.35
_cell_length_c   5.76
_cell_angle_alpha   112.14
_cell_angle_beta   109.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TePd
_chemical_formula_sum   'Te2 Pd2'
_cell_volume   83.22
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.5  0.28  0.24  1.0
  Pd  Pd1  2  0.33  0.49  0.45  1.0

Te Te Pd Pd