data_NaTh2Be
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTh2Be
_chemical_formula_sum   'Na1 Th2 Be1'
_cell_volume   99.26
_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  0.67  0.67  0.67  1.0
  Th  Th2  1  0.51  0.51  0.51  1.0
  Th  Th3  1  0.84  0.84  0.84  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0

data_NaTh2Be
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   12.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   NaTh2Be
_chemical_formula_sum   'Na3 Th6 Be3'
_cell_volume   297.77
_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  0.33  1.0
  Th  Th1  3  0.0  0.0  0.16  1.0
  Th  Th2  3  0.0  0.0  0.49  1.0
  Be  Be3  3  0.0  0.0  0.0  1.0

Na Th Th Be
NaBeTh2 crystallizes in the trigonal R3m space group. Na(1) is bonded to three equivalent Be(1), one Th(1), and one Th(2) atom to form distorted NaTh2Be3 trigonal bipyramids that share corners with six equivalent Na(1)Th2Be3 trigonal bipyramids and  a cornercorner with one Be(1)Na3Th trigonal pyramid. All Na(1)-Be(1) bond lengths are 3.00 Å. The Na(1)-Th(1) bond length is 2.07 Å. The Na(1)-Th(2) bond length is 2.07 Å. Be(1) is bonded to three equivalent Na(1) and one Th(2) atom to form distorted BeNa3Th trigonal pyramids that share  a cornercorner with one Na(1)Th2Be3 trigonal bipyramid and corners with six equivalent Be(1)Na3Th trigonal pyramids. The Be(1)-Th(2) bond length is 2.07 Å. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded in a single-bond geometry to one Na(1) atom. In the second Th site, Th(2) is bonded in a linear geometry to one Na(1) and one Be(1) atom.