data_NaYMnSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaYMnSn
_chemical_formula_sum   'Na1 Y1 Mn1 Sn1'
_cell_volume   98.42
_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  Na1  1  0.0  0.0  0.0  1.0
  Y  Y3  1  0.66  0.66  0.66  1.0
  Mn  Mn0  1  0.83  0.83  0.83  1.0
  Sn  Sn2  1  0.5  0.5  0.5  1.0

data_NaYMnSn
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   12.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   NaYMnSn
_chemical_formula_sum   'Na3 Y3 Mn3 Sn3'
_cell_volume   295.26
_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
  Na  Na0  3  0.0  0.0  0.0  1.0
  Y  Y1  3  0.0  0.0  0.34  1.0
  Mn  Mn2  3  0.0  0.0  0.17  1.0
  Sn  Sn3  3  0.0  0.0  0.5  1.0

Na Y Mn Sn
Na Y Mn Sn 0 2 - - - 1 3 o o o 1 2 o o o 
NaYMnSn is Copper structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three NaYMnSn clusters. Na(1) is bonded in a distorted single-bond geometry to one Mn(1) atom. The Na(1)-Mn(1) bond length is 2.13 Å. Y(1) is bonded in a distorted linear geometry to one Mn(1) and one Sn(1) atom. The Y(1)-Mn(1) bond length is 2.13 Å. The Y(1)-Sn(1) bond length is 2.13 Å. Mn(1) is bonded in a distorted linear geometry to one Na(1) and one Y(1) atom. Sn(1) is bonded in a distorted single-bond geometry to one Y(1) atom.