data_TePd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38
_cell_length_b   5.38
_cell_length_c   6.88
_cell_angle_alpha   109.25
_cell_angle_beta   109.25
_cell_angle_gamma   37.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TePd2
_chemical_formula_sum   'Te2 Pd4'
_cell_volume   112.24
_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  Te4  1  0.41  0.0  0.31  1.0
  Te  Te5  1  0.4  0.0  0.13  1.0
  Pd  Pd0  1  0.16  0.0  0.5  1.0
  Pd  Pd1  1  0.26  0.0  0.27  1.0
  Pd  Pd2  1  0.55  0.0  0.18  1.0
  Pd  Pd3  1  0.65  0.0  0.95  1.0

data_TePd2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.42
_cell_length_b   5.38
_cell_length_c   6.88
_cell_angle_alpha   109.25
_cell_angle_beta   90.0
_cell_angle_gamma   108.52
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TePd2
_chemical_formula_sum   'Te2 Pd4'
_cell_volume   112.24
_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  0.0  0.49  0.41  1.0
  Pd  Pd1  2  0.0  0.25  0.78  1.0
  Pd  Pd2  2  0.0  0.35  0.55  1.0

Te Te Pd Pd Pd Pd
Te Te Pd Pd Pd Pd 0 3 o o o 0 2 o o o 1 4 o o o 1 5 o o - 2 3 o o o 4 5 o o - 