data_NaTaBe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   2.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTaBe2
_chemical_formula_sum   'Na1 Ta1 Be2'
_cell_volume   58.21
_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  0.0  0.0  0.0  1.0
  Ta  Ta3  1  0.32  0.0  0.0  1.0
  Be  Be0  1  0.66  0.26  0.26  1.0
  Be  Be1  1  0.66  0.74  0.26  1.0

data_NaTaBe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.51
_cell_length_b   4.81
_cell_length_c   4.81
_cell_angle_alpha   92.76
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTaBe2
_chemical_formula_sum   'Na1 Ta1 Be2'
_cell_volume   58.21
_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  0.0  1.0
  Ta  Ta1  1  0.0  0.32  0.0  1.0
  Be  Be2  1  0.26  0.66  0.26  1.0
  Be  Be3  1  0.26  0.66  0.74  1.0

Na Ta Be Be
NaBe2Ta crystallizes in the triclinic P1 space group. Na(1) is bonded in a 3-coordinate geometry to one Be(2), two equivalent Be(1), and one Ta(1) atom. The Na(1)-Be(2) bond length is 2.10 Å. There is one shorter (2.19 Å) and one longer (2.81 Å) Na(1)-Be(1) bond length. The Na(1)-Ta(1) bond length is 1.55 Å. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded in a 8-coordinate geometry to two equivalent Na(1), two equivalent Be(1), two equivalent Be(2), and two equivalent Ta(1) atoms. Both Be(1)-Be(1) bond lengths are 2.51 Å. There is one shorter (2.34 Å) and one longer (2.48 Å) Be(1)-Be(2) bond length. There is one shorter (2.10 Å) and one longer (2.74 Å) Be(1)-Ta(1) bond length. In the second Be site, Be(2) is bonded in a 1-coordinate geometry to one Na(1) and two equivalent Be(1) atoms. Ta(1) is bonded in a distorted single-bond geometry to one Na(1) and two equivalent Be(1) atoms.