data_BeNbMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.27
_cell_length_b   9.27
_cell_length_c   9.27
_cell_angle_alpha   17.26
_cell_angle_beta   17.26
_cell_angle_gamma   17.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeNbMo2
_chemical_formula_sum   'Be1 Nb1 Mo2'
_cell_volume   61.09
_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  0.69  1.0
  Mo  Mo1  1  0.0  0.0  0.28  1.0
  Mo  Mo2  1  0.0  0.0  0.1  1.0

data_BeNbMo2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.82
_cell_length_b   2.78
_cell_length_c   9.27
_cell_angle_alpha   90.0
_cell_angle_beta   99.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeNbMo2
_chemical_formula_sum   'Be2 Nb2 Mo4'
_cell_volume   122.18
_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  0.31  1.0
  Mo  Mo2  2  0.0  0.0  0.72  1.0
  Mo  Mo3  2  0.0  0.0  0.9  1.0

Be Nb Mo Mo
BeNbMo2 crystallizes in the monoclinic Cm space group. Be(1) is bonded in a single-bond geometry to one Nb(1) and one Mo(2) atom. The Be(1)-Nb(1) bond length is 2.88 Å. The Be(1)-Mo(2) bond length is 0.93 Å. Nb(1) is bonded to one Be(1), six equivalent Nb(1), and one Mo(1) atom to form a mixture of corner and edge-sharing NbBeNb6Mo hexagonal bipyramids. All Nb(1)-Nb(1) bond lengths are 2.78 Å. The Nb(1)-Mo(1) bond length is 3.81 Å. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a single-bond geometry to one Nb(1) and one Mo(2) atom. The Mo(1)-Mo(2) bond length is 1.64 Å. In the second Mo site, Mo(2) is bonded in a single-bond geometry to one Be(1) and one Mo(1) atom.