data_MoAs2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   6.9
_cell_angle_alpha   104.98
_cell_angle_beta   104.98
_cell_angle_gamma   41.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoAs2Br
_chemical_formula_sum   'Mo1 As2 Br1'
_cell_volume   101.21
_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
  Mo  Mo3  1  0.79  0.0  0.91  1.0
  As  As0  1  0.44  0.0  0.57  1.0
  As  As1  1  0.43  0.0  0.59  1.0
  Br  Br2  1  0.99  0.0  0.88  1.0

data_MoAs2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.39
_cell_length_b   4.81
_cell_length_c   6.9
_cell_angle_alpha   104.98
_cell_angle_beta   90.0
_cell_angle_gamma   110.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoAs2Br
_chemical_formula_sum   'Mo1 As2 Br1'
_cell_volume   101.21
_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
  Mo  Mo0  1  0.0  0.21  0.09  1.0
  As  As1  1  0.0  0.56  0.43  1.0
  As  As2  1  0.0  0.57  0.41  1.0
  Br  Br3  1  0.0  0.01  0.12  1.0

Mo As As Br
MoBr(As)2 is Ammonia-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one arsenic molecule and one MoBr cluster. In the MoBr cluster, Mo(1) is bonded in a single-bond geometry to one Br(1) atom. The Mo(1)-Br(1) bond length is 1.00 Å. Br(1) is bonded in a single-bond geometry to one Mo(1) atom.