data_SiAs2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77
_cell_length_b   4.77
_cell_length_c   4.77
_cell_angle_alpha   126.3
_cell_angle_beta   126.3
_cell_angle_gamma   79.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiAs2Pd
_chemical_formula_sum   'Si1 As2 Pd1'
_cell_volume   67.98
_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
  As  As0  1  0.15  0.0  0.83  1.0
  As  As1  1  0.0  0.0  0.67  1.0
  Pd  Pd2  1  0.0  0.15  0.83  1.0

data_SiAs2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.31
_cell_length_b   4.31
_cell_length_c   4.77
_cell_angle_alpha   116.85
_cell_angle_beta   116.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiAs2Pd
_chemical_formula_sum   'Si1 As2 Pd1'
_cell_volume   67.98
_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
  As  As1  1  0.17  0.0  0.32  1.0
  As  As2  1  0.33  0.0  0.33  1.0
  Pd  Pd3  1  0.32  0.15  0.32  1.0

Si As As Pd