data_SiAs2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.72
_cell_length_b   4.72
_cell_length_c   4.72
_cell_angle_alpha   125.07
_cell_angle_beta   125.07
_cell_angle_gamma   81.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiAs2Pd
_chemical_formula_sum   'Si1 As2 Pd1'
_cell_volume   67.78
_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  0.18  0.0  0.79  1.0
  As  As1  1  0.0  0.18  0.79  1.0
  Pd  Pd2  1  0.0  0.0  0.58  1.0

data_SiAs2Pd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.16
_cell_length_b   6.16
_cell_length_c   4.72
_cell_angle_alpha   90.0
_cell_angle_beta   130.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SiAs2Pd
_chemical_formula_sum   'Si2 As4 Pd2'
_cell_volume   135.56
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  As  As1  4  0.41  0.41  0.61  1.0
  Pd  Pd2  2  0.0  0.0  0.58  1.0

Si As As Pd
Si As As Pd 0 2 o o - 0 1 o o - 1 3 o o o 2 3 o o o 