data_Sn2TePd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.9
_cell_length_b   6.9
_cell_length_c   6.9
_cell_angle_alpha   150.92
_cell_angle_beta   140.68
_cell_angle_gamma   49.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2TePd
_chemical_formula_sum   'Sn2 Te1 Pd1'
_cell_volume   100.87
_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  Sn1  1  0.73  0.0  0.36  1.0
  Sn  Sn2  1  0.0  0.32  0.91  1.0
  Te  Te3  1  0.0  0.0  0.27  1.0
  Pd  Pd0  1  0.0  0.0  0.0  1.0

data_Sn2TePd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.47
_cell_length_b   4.65
_cell_length_c   6.9
_cell_angle_alpha   109.66
_cell_angle_beta   104.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2TePd
_chemical_formula_sum   'Sn2 Te1 Pd1'
_cell_volume   100.87
_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  0.09  0.41  0.41  1.0
  Sn  Sn1  1  0.38  0.64  0.38  1.0
  Te  Te2  1  0.73  0.73  0.73  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

Sn Sn Te Pd