data_Te2PdCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.18
_cell_length_b   4.18
_cell_length_c   7.14
_cell_angle_alpha   103.21
_cell_angle_beta   103.21
_cell_angle_gamma   57.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te2PdCl
_chemical_formula_sum   'Te2 Pd1 Cl1'
_cell_volume   101.72
_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  Te2  1  0.33  0.0  0.71  1.0
  Te  Te3  1  0.13  0.0  0.18  1.0
  Pd  Pd1  1  0.73  0.0  0.45  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Te2PdCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.03
_cell_length_b   4.18
_cell_length_c   7.14
_cell_angle_alpha   103.21
_cell_angle_beta   90.0
_cell_angle_gamma   118.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te2PdCl
_chemical_formula_sum   'Te2 Pd1 Cl1'
_cell_volume   101.72
_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  0.67  0.29  1.0
  Te  Te1  1  0.0  0.87  0.82  1.0
  Pd  Pd2  1  0.0  0.27  0.55  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

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