data_SiPdSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.33
_cell_length_b   4.33
_cell_length_c   6.75
_cell_angle_alpha   96.67
_cell_angle_beta   96.67
_cell_angle_gamma   47.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiPdSe2
_chemical_formula_sum   'Si1 Pd1 Se2'
_cell_volume   92.79
_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
  Si  Si3  1  0.02  0.0  0.24  1.0
  Pd  Pd0  1  0.27  0.0  0.95  1.0
  Se  Se1  1  0.51  0.0  0.68  1.0
  Se  Se2  1  0.71  0.0  0.17  1.0

data_SiPdSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   4.33
_cell_length_c   6.75
_cell_angle_alpha   96.67
_cell_angle_beta   90.0
_cell_angle_gamma   113.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiPdSe2
_chemical_formula_sum   'Si1 Pd1 Se2'
_cell_volume   92.79
_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
  Si  Si0  1  0.0  0.98  0.76  1.0
  Pd  Pd1  1  0.0  0.73  0.05  1.0
  Se  Se2  1  0.0  0.29  0.83  1.0
  Se  Se3  1  0.0  0.49  0.32  1.0

Si Pd Se Se