data_NaSn2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.91
_cell_length_b   5.91
_cell_length_c   5.91
_cell_angle_alpha   142.04
_cell_angle_beta   133.3
_cell_angle_gamma   61.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSn2Pd
_chemical_formula_sum   'Na1 Sn2 Pd1'
_cell_volume   91.31
_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  0.28  1.0
  Sn  Sn2  1  0.0  0.0  0.79  1.0
  Sn  Sn3  1  0.92  0.0  0.46  1.0
  Pd  Pd1  1  0.0  0.34  0.77  1.0

data_NaSn2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.84
_cell_length_b   4.68
_cell_length_c   5.91
_cell_angle_alpha   113.35
_cell_angle_beta   108.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSn2Pd
_chemical_formula_sum   'Na1 Sn2 Pd1'
_cell_volume   91.31
_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  0.28  0.28  1.0
  Sn  Sn1  1  0.0  0.46  0.53  1.0
  Sn  Sn2  1  0.0  0.79  0.79  1.0
  Pd  Pd3  1  0.66  0.42  0.42  1.0

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