data_Be2MoAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.43
_cell_length_b   3.45
_cell_length_c   4.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2MoAs
_chemical_formula_sum   'Be2 Mo1 As1'
_cell_volume   48.08
_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  Be1  1  0.0  0.0  0.0  1.0
  Be  Be2  1  0.0  0.72  0.04  1.0
  Mo  Mo3  1  0.71  0.72  0.0  1.0
  As  As0  1  0.71  0.0  0.04  1.0

data_Be2MoAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.43
_cell_length_b   3.45
_cell_length_c   4.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2MoAs
_chemical_formula_sum   'Be2 Mo1 As1'
_cell_volume   48.08
_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
  Be  Be1  1  0.0  0.72  0.04  1.0
  Mo  Mo2  1  0.71  0.72  0.0  1.0
  As  As3  1  0.71  0.0  0.04  1.0

Be Be Mo As
Be Be Mo As 0 3 - o o 0 1 o - o 1 2 - o o 2 3 o + o 
Be2MoAs is alpha Po structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Be2MoAs cluster. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded in a distorted single-bond geometry to one As(1) atom. The Be(1)-As(1) bond length is 0.99 Å. In the second Be site, Be(2) is bonded in a distorted single-bond geometry to one Mo(1) atom. The Be(2)-Mo(1) bond length is 0.99 Å. Mo(1) is bonded in a 2-coordinate geometry to one Be(2) and one As(1) atom. The Mo(1)-As(1) bond length is 0.97 Å. As(1) is bonded in a 2-coordinate geometry to one Be(1) and one Mo(1) atom.