data_BaNaFeSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNaFeSn
_chemical_formula_sum   'Ba1 Na1 Fe1 Sn1'
_cell_volume   97.15
_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
  Ba  Ba0  1  0.47  0.47  0.47  1.0
  Na  Na2  1  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.65  0.65  0.65  1.0
  Sn  Sn3  1  0.82  0.82  0.82  1.0

data_BaNaFeSn
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   12.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   BaNaFeSn
_chemical_formula_sum   'Ba3 Na3 Fe3 Sn3'
_cell_volume   291.44
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Ba  Ba0  3  0.0  0.0  0.53  1.0
  Na  Na1  3  0.0  0.0  1.0  1.0
  Fe  Fe2  3  0.0  0.0  0.35  1.0
  Sn  Sn3  3  0.0  0.0  0.18  1.0

Ba Na Fe Sn
Ba Na Fe Sn 0 2 o o o 1 3 - - - 2 3 o o o 
NaBaFeSn crystallizes in the trigonal R3m space group. Na(1) is bonded in a 4-coordinate geometry to three equivalent Fe(1) and one Sn(1) atom. All Na(1)-Fe(1) bond lengths are 2.99 Å. The Na(1)-Sn(1) bond length is 2.22 Å. Ba(1) is bonded to one Fe(1) and three equivalent Sn(1) atoms to form distorted BaFeSn3 trigonal pyramids that share  a cornercorner with one Sn(1)Ba3NaFe trigonal bipyramid, corners with three equivalent Fe(1)BaNa3Sn trigonal bipyramids, and corners with six equivalent Ba(1)FeSn3 trigonal pyramids. The Ba(1)-Fe(1) bond length is 2.22 Å. All Ba(1)-Sn(1) bond lengths are 2.99 Å. Fe(1) is bonded to three equivalent Na(1), one Ba(1), and one Sn(1) atom to form distorted FeBaNa3Sn trigonal bipyramids that share corners with six equivalent Fe(1)BaNa3Sn trigonal bipyramids, corners with three equivalent Ba(1)FeSn3 trigonal pyramids, and edges with three equivalent Sn(1)Ba3NaFe trigonal bipyramids. The Fe(1)-Sn(1) bond length is 2.22 Å. Sn(1) is bonded to one Na(1), three equivalent Ba(1), and one Fe(1) atom to form distorted SnBa3NaFe trigonal bipyramids that share corners with six equivalent Sn(1)Ba3NaFe trigonal bipyramids,  a cornercorner with one Ba(1)FeSn3 trigonal pyramid, and edges with three equivalent Fe(1)BaNa3Sn trigonal bipyramids.