data_TePd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.2
_cell_length_b   4.51
_cell_length_c   4.95
_cell_angle_alpha   90.0
_cell_angle_beta   98.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TePd3
_chemical_formula_sum   'Te1 Pd3'
_cell_volume   70.63
_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  0.24  0.0  0.45  1.0
  Pd  Pd0  1  0.08  0.25  0.26  1.0
  Pd  Pd1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.4  0.25  0.63  1.0

data_TePd3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   4.51
_cell_length_c   4.95
_cell_angle_alpha   90.0
_cell_angle_beta   98.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TePd3
_chemical_formula_sum   'Te1 Pd3'
_cell_volume   70.63
_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  0.24  0.0  0.45  1.0
  Pd  Pd1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.08  0.25  0.26  1.0
  Pd  Pd3  1  0.4  0.25  0.63  1.0

Te Pd Pd Pd
Te Pd Pd Pd 0 1 o o o 0 3 o o o 1 2 o o o 