data_LaBeNb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.45
_cell_length_b   9.45
_cell_length_c   9.45
_cell_angle_alpha   19.01
_cell_angle_beta   19.01
_cell_angle_gamma   19.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaBeNb2
_chemical_formula_sum   'La1 Be1 Nb2'
_cell_volume   78.34
_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
  La  La1  1  0.0  0.0  0.92  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Nb  Nb2  1  0.0  0.0  0.27  1.0
  Nb  Nb3  1  0.0  0.0  0.57  1.0

data_LaBeNb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.41
_cell_length_b   3.12
_cell_length_c   9.45
_cell_angle_alpha   90.0
_cell_angle_beta   100.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaBeNb2
_chemical_formula_sum   'La2 Be2 Nb4'
_cell_volume   156.67
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  La  La0  2  0.0  0.0  0.08  1.0
  Be  Be1  2  0.0  0.0  0.0  1.0
  Nb  Nb2  2  0.0  0.0  0.43  1.0
  Nb  Nb3  2  0.0  0.0  0.73  1.0

La Be Nb Nb
BeLaNb2 crystallizes in the monoclinic Cm space group. Be(1) is bonded in a single-bond geometry to one La(1) and one Nb(1) atom. The Be(1)-La(1) bond length is 0.74 Å. The Be(1)-Nb(1) bond length is 2.53 Å. La(1) is bonded in a single-bond geometry to one Be(1) and one Nb(2) atom. The La(1)-Nb(2) bond length is 3.28 Å. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 8-coordinate geometry to one Be(1), one Nb(2), and six equivalent Nb(1) atoms. The Nb(1)-Nb(2) bond length is 2.90 Å. All Nb(1)-Nb(1) bond lengths are 3.12 Å. In the second Nb site, Nb(2) is bonded in a 8-coordinate geometry to one La(1), one Nb(1), and six equivalent Nb(2) atoms. All Nb(2)-Nb(2) bond lengths are 3.12 Å.