data_FeSi2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77
_cell_length_b   4.77
_cell_length_c   2.73
_cell_angle_alpha   103.34
_cell_angle_beta   103.34
_cell_angle_gamma   108.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSi2Pd
_chemical_formula_sum   'Fe1 Si2 Pd1'
_cell_volume   53.97
_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
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Si  Si2  1  0.85  0.06  0.25  1.0
  Si  Si3  1  0.85  0.94  0.25  1.0
  Pd  Pd1  1  0.78  0.0  0.0  1.0

data_FeSi2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.73
_cell_length_b   4.77
_cell_length_c   4.77
_cell_angle_alpha   108.77
_cell_angle_beta   103.34
_cell_angle_gamma   103.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSi2Pd
_chemical_formula_sum   'Fe1 Si2 Pd1'
_cell_volume   53.97
_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
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Si  Si1  1  0.25  0.85  0.06  1.0
  Si  Si2  1  0.25  0.85  0.94  1.0
  Pd  Pd3  1  0.0  0.78  0.0  1.0

Fe Si Si Pd