data_NaSi2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   4.83
_cell_angle_alpha   130.43
_cell_angle_beta   130.43
_cell_angle_gamma   72.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSi2Pd
_chemical_formula_sum   'Na1 Si2 Pd1'
_cell_volume   63.61
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Si  Si2  1  0.0  0.0  0.89  1.0
  Si  Si3  1  0.0  0.02  0.94  1.0
  Pd  Pd1  1  0.02  0.0  0.94  1.0

data_NaSi2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.05
_cell_length_b   4.05
_cell_length_c   4.83
_cell_angle_alpha   114.79
_cell_angle_beta   114.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSi2Pd
_chemical_formula_sum   'Na1 Si2 Pd1'
_cell_volume   63.61
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Si  Si1  1  0.08  0.02  0.08  1.0
  Si  Si2  1  0.11  0.0  0.11  1.0
  Pd  Pd3  1  0.06  0.0  0.08  1.0

Na Si Si Pd