data_BeNbMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.23
_cell_length_b   3.23
_cell_length_c   5.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeNbMo2
_chemical_formula_sum   'Be1 Nb1 Mo2'
_cell_volume   59.36
_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  Nb3  1  0.0  0.0  0.84  1.0
  Mo  Mo1  1  0.62  0.62  0.22  1.0
  Mo  Mo2  1  0.62  0.62  0.46  1.0

data_BeNbMo2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   5.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeNbMo2
_chemical_formula_sum   'Be2 Nb2 Mo4'
_cell_volume   118.72
_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
  Be  Be0  2  0.0  0.0  0.0  1.0
  Nb  Nb1  2  0.0  0.0  0.84  1.0
  Mo  Mo2  2  0.12  0.5  0.22  1.0
  Mo  Mo3  2  0.12  0.5  0.46  1.0

Be Nb Mo Mo
BeNbMo2 crystallizes in the monoclinic Cm space group. Be(1) is bonded in a 2-coordinate geometry to one Nb(1) and three equivalent Mo(1) atoms. The Be(1)-Nb(1) bond length is 0.91 Å. There is one shorter (2.14 Å) and two longer (2.65 Å) Be(1)-Mo(1) bond lengths. Nb(1) is bonded in a distorted single-bond geometry to one Be(1) and one Mo(2) atom. The Nb(1)-Mo(2) bond length is 2.77 Å. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 4-coordinate geometry to three equivalent Be(1) and one Mo(2) atom. The Mo(1)-Mo(2) bond length is 1.40 Å. In the second Mo site, Mo(2) is bonded in a 2-coordinate geometry to one Nb(1) and one Mo(1) atom.