data_NaBeCuSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   4.56
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaBeCuSn
_chemical_formula_sum   'Na1 Be1 Cu1 Sn1'
_cell_volume   66.9
_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  Na2  1  0.61  0.61  0.61  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.22  0.22  0.22  1.0
  Sn  Sn3  1  0.83  0.83  0.83  1.0

data_NaBeCuSn
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   11.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   NaBeCuSn
_chemical_formula_sum   'Na3 Be3 Cu3 Sn3'
_cell_volume   200.71
_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  0.39  1.0
  Be  Be1  3  0.0  0.0  1.0  1.0
  Cu  Cu2  3  0.0  0.0  0.78  1.0
  Sn  Sn3  3  0.0  0.0  0.17  1.0

Na Be Cu Sn
Na Be Cu Sn 0 3 o - o 0 3 - o o 0 3 o o - 0 3 o o o 0 2 o o + 0 2 o + o 0 2 + o o 0 1 o + + 0 1 + o + 0 1 + + o 1 3 - - - 1 2 o o o 1 2 o o - 1 2 - o o 1 2 o - o 2 3 - - o 2 3 - o - 2 3 o - - 
NaBeCuSn crystallizes in the trigonal R3m space group. Na(1) is bonded in a 10-coordinate geometry to three equivalent Be(1), three equivalent Cu(1), and four equivalent Sn(1) atoms. All Na(1)-Be(1) bond lengths are 2.70 Å. All Na(1)-Cu(1) bond lengths are 2.70 Å. There is one shorter (2.48 Å) and three longer (2.91 Å) Na(1)-Sn(1) bond lengths. Be(1) is bonded in a 1-coordinate geometry to three equivalent Na(1), one Cu(1), and one Sn(1) atom. The Be(1)-Cu(1) bond length is 2.48 Å. The Be(1)-Sn(1) bond length is 1.86 Å. Cu(1) is bonded in a 4-coordinate geometry to three equivalent Na(1) and one Be(1) atom. Sn(1) is bonded in a distorted linear geometry to four equivalent Na(1) and one Be(1) atom.