data_TePd2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.45
_cell_length_b   3.45
_cell_length_c   7.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TePd2Cl
_chemical_formula_sum   'Te1 Pd2 Cl1'
_cell_volume   81.68
_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  0.78  1.0
  Pd  Pd1  1  0.87  0.0  0.89  1.0
  Pd  Pd2  1  0.87  0.0  0.66  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_TePd2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   3.45
_cell_length_c   7.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TePd2Cl
_chemical_formula_sum   'Te1 Pd2 Cl1'
_cell_volume   81.68
_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  0.78  1.0
  Pd  Pd1  1  0.87  0.0  0.66  1.0
  Pd  Pd2  1  0.87  0.0  0.89  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Te Pd Pd Cl
Te Pd Pd Cl 0 2 - o o 0 1 - o o 1 3 + o + 