data_BeNb2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   4.43
_cell_angle_alpha   105.1
_cell_angle_beta   105.1
_cell_angle_gamma   34.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeNb2P
_chemical_formula_sum   'Be1 Nb2 P1'
_cell_volume   57.72
_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
  Be  Be0  1  0.08  0.0  0.93  1.0
  Nb  Nb1  1  0.14  0.0  0.28  1.0
  Nb  Nb2  1  0.27  0.0  0.91  1.0
  P  P3  1  0.81  0.0  0.28  1.0

data_BeNb2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   4.43
_cell_length_c   4.92
_cell_angle_alpha   105.1
_cell_angle_beta   107.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeNb2P
_chemical_formula_sum   'Be1 Nb2 P1'
_cell_volume   57.72
_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
  Be  Be0  1  0.0  0.93  0.08  1.0
  Nb  Nb1  1  0.0  0.28  0.14  1.0
  Nb  Nb2  1  0.0  0.91  0.27  1.0
  P  P3  1  0.0  0.28  0.81  1.0

Be Nb Nb P
Be Nb Nb P 0 2 o o o 0 1 o o + 1 3 - o o 
BeNb2P is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one BeNb2P cluster. Be(1) is bonded in a distorted water-like geometry to one Nb(1) and one Nb(2) atom. The Be(1)-Nb(1) bond length is 1.49 Å. The Be(1)-Nb(2) bond length is 1.00 Å. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a distorted L-shaped geometry to one Be(1) and one P(1) atom. The Nb(1)-P(1) bond length is 1.59 Å. In the second Nb site, Nb(2) is bonded in a distorted single-bond geometry to one Be(1) atom. P(1) is bonded in a distorted single-bond geometry to one Nb(1) atom.