data_SiPdSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.03
_cell_length_b   6.03
_cell_length_c   6.03
_cell_angle_alpha   143.93
_cell_angle_beta   143.93
_cell_angle_gamma   51.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiPdSe2
_chemical_formula_sum   'Si1 Pd1 Se2'
_cell_volume   75.46
_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  0.0  0.0  0.0  1.0
  Pd  Pd0  1  0.87  0.0  0.71  1.0
  Se  Se1  1  0.0  0.0  0.42  1.0
  Se  Se2  1  0.0  0.87  0.71  1.0

data_SiPdSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.73
_cell_length_b   3.73
_cell_length_c   6.03
_cell_angle_alpha   108.04
_cell_angle_beta   108.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiPdSe2
_chemical_formula_sum   'Si1 Pd1 Se2'
_cell_volume   75.46
_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  0.0  0.0  1.0
  Pd  Pd1  1  0.29  0.0  0.16  1.0
  Se  Se2  1  0.16  0.87  0.16  1.0
  Se  Se3  1  0.58  0.0  0.58  1.0

Si Pd Se Se