data_TePd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   5.14
_cell_angle_alpha   115.64
_cell_angle_beta   115.64
_cell_angle_gamma   115.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TePd3
_chemical_formula_sum   'Te1 Pd3'
_cell_volume   71.54
_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  0.0  0.0  1.0
  Pd  Pd0  1  0.0  0.51  0.09  1.0
  Pd  Pd1  1  0.18  0.74  0.09  1.0
  Pd  Pd2  1  0.82  0.74  0.09  1.0

data_TePd3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   5.14
_cell_length_c   5.14
_cell_angle_alpha   115.64
_cell_angle_beta   102.23
_cell_angle_gamma   102.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TePd3
_chemical_formula_sum   'Te1 Pd3'
_cell_volume   71.54
_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  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.09  0.09  0.58  1.0
  Pd  Pd2  1  0.09  0.27  0.35  1.0
  Pd  Pd3  1  0.09  0.91  0.35  1.0

Te Pd Pd Pd