data_NaNi2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   4.9
_cell_angle_alpha   100.44
_cell_angle_beta   100.44
_cell_angle_gamma   32.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaNi2Pd
_chemical_formula_sum   'Na1 Ni2 Pd1'
_cell_volume   57.7
_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  0.51  0.0  0.19  1.0
  Ni  Ni1  1  0.95  0.0  0.64  1.0
  Ni  Ni2  1  0.61  0.0  0.68  1.0
  Pd  Pd3  1  0.15  0.0  0.54  1.0

data_NaNi2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.66
_cell_length_b   4.7
_cell_length_c   4.9
_cell_angle_alpha   100.44
_cell_angle_beta   90.0
_cell_angle_gamma   106.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaNi2Pd
_chemical_formula_sum   'Na1 Ni2 Pd1'
_cell_volume   57.7
_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  0.49  0.81  1.0
  Ni  Ni1  1  0.0  0.05  0.36  1.0
  Ni  Ni2  1  0.0  0.39  0.32  1.0
  Pd  Pd3  1  0.0  0.85  0.46  1.0

Na Ni Ni Pd
Na Ni Ni Pd 0 3 o o o 0 0 + - o 0 2 o o - 0 2 o o o 0 1 o o o 1 3 + o o 1 2 o o o 