data_SnTePd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.19
_cell_length_b   4.97
_cell_length_c   4.88
_cell_angle_alpha   90.0
_cell_angle_beta   113.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnTePd2
_chemical_formula_sum   'Sn1 Te1 Pd2'
_cell_volume   93.15
_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
  Sn  Sn2  1  0.39  0.0  0.69  1.0
  Te  Te3  1  0.43  0.49  0.66  1.0
  Pd  Pd0  1  0.28  0.0  0.42  1.0
  Pd  Pd1  1  0.35  0.49  0.4  1.0

data_SnTePd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.19
_cell_length_b   4.88
_cell_length_c   4.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnTePd2
_chemical_formula_sum   'Sn1 Te1 Pd2'
_cell_volume   93.15
_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
  Sn  Sn0  1  0.61  0.31  0.0  1.0
  Te  Te1  1  0.57  0.34  0.51  1.0
  Pd  Pd2  1  0.65  0.6  0.51  1.0
  Pd  Pd3  1  0.72  0.58  0.0  1.0

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