data_BeMoAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.32
_cell_length_b   4.32
_cell_length_c   3.21
_cell_angle_alpha   90.97
_cell_angle_beta   90.97
_cell_angle_gamma   100.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeMoAs2
_chemical_formula_sum   'Be1 Mo1 As2'
_cell_volume   58.97
_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  Be2  1  0.0  0.0  0.0  1.0
  Mo  Mo3  1  0.77  0.0  0.0  1.0
  As  As0  1  0.34  0.34  0.61  1.0
  As  As1  1  0.34  0.66  0.61  1.0

data_BeMoAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   4.32
_cell_length_c   4.32
_cell_angle_alpha   100.35
_cell_angle_beta   90.97
_cell_angle_gamma   90.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeMoAs2
_chemical_formula_sum   'Be1 Mo1 As2'
_cell_volume   58.97
_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
  Mo  Mo1  1  0.0  0.77  0.0  1.0
  As  As2  1  0.61  0.34  0.34  1.0
  As  As3  1  0.61  0.34  0.66  1.0

Be Mo As As
Be Mo As As 0 1 - o o 2 3 o o o 
BeMoAs2 crystallizes in the triclinic P1 space group. Be(1) is bonded in a distorted single-bond geometry to one Mo(1), one As(2), and two equivalent As(1) atoms. The Be(1)-Mo(1) bond length is 1.01 Å. The Be(1)-As(2) bond length is 2.59 Å. There is one shorter (2.30 Å) and one longer (2.68 Å) Be(1)-As(1) bond length. Mo(1) is bonded in a single-bond geometry to one Be(1) and one As(2) atom. The Mo(1)-As(2) bond length is 2.46 Å. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 3-coordinate geometry to two equivalent Be(1) and one As(2) atom. The As(1)-As(2) bond length is 1.37 Å. In the second As site, As(2) is bonded in a 3-coordinate geometry to one Be(1), one Mo(1), and one As(1) atom.