data_FeSiPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   4.47
_cell_angle_alpha   111.38
_cell_angle_beta   111.38
_cell_angle_gamma   32.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSiPd2
_chemical_formula_sum   'Fe1 Si1 Pd2'
_cell_volume   55.06
_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  0.04  0.0  0.02  1.0
  Si  Si3  1  0.8  0.0  0.2  1.0
  Pd  Pd1  1  0.05  0.0  0.1  1.0
  Pd  Pd2  1  0.91  0.0  0.89  1.0

data_FeSiPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   4.47
_cell_length_c   4.98
_cell_angle_alpha   111.38
_cell_angle_beta   106.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSiPd2
_chemical_formula_sum   'Fe1 Si1 Pd2'
_cell_volume   55.06
_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  0.02  0.04  1.0
  Si  Si1  1  0.0  0.2  0.8  1.0
  Pd  Pd2  1  0.0  0.1  0.05  1.0
  Pd  Pd3  1  0.0  0.89  0.91  1.0

Fe Si Pd Pd