data_BeNb2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.3
_cell_length_b   4.3
_cell_length_c   3.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   101.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeNb2P
_chemical_formula_sum   'Be1 Nb2 P1'
_cell_volume   56.89
_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  0.0  0.0  1.0
  Nb  Nb1  1  0.36  0.66  0.57  1.0
  Nb  Nb2  1  0.36  0.34  0.57  1.0
  P  P3  1  0.73  0.0  0.0  1.0

data_BeNb2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   4.3
_cell_length_c   4.3
_cell_angle_alpha   101.31
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeNb2P
_chemical_formula_sum   'Be1 Nb2 P1'
_cell_volume   56.89
_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  0.0  0.0  1.0
  Nb  Nb1  1  0.57  0.36  0.34  1.0
  Nb  Nb2  1  0.57  0.36  0.66  1.0
  P  P3  1  0.0  0.73  0.0  1.0

Be Nb Nb P
BeNb2P crystallizes in the triclinic P1 space group. Be(1) is bonded in a single-bond geometry to two equivalent Nb(2) and one P(1) atom. There is one shorter (2.34 Å) and one longer (2.61 Å) Be(1)-Nb(2) bond length. The Be(1)-P(1) bond length is 1.17 Å. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 3-coordinate geometry to one Nb(2) and two equivalent P(1) atoms. The Nb(1)-Nb(2) bond length is 1.41 Å. There is one shorter (2.34 Å) and one longer (2.61 Å) Nb(1)-P(1) bond length. In the second Nb site, Nb(2) is bonded in a 5-coordinate geometry to two equivalent Be(1), one Nb(1), and two equivalent P(1) atoms. There is one shorter (2.70 Å) and one longer (2.93 Å) Nb(2)-P(1) bond length. P(1) is bonded in a distorted single-bond geometry to one Be(1), two equivalent Nb(1), and two equivalent Nb(2) atoms.