data_Bi2MoAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   5.57
_cell_angle_alpha   131.7
_cell_angle_beta   131.7
_cell_angle_gamma   70.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi2MoAs
_chemical_formula_sum   'Bi2 Mo1 As1'
_cell_volume   94.44
_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
  Bi  Bi1  1  0.28  0.0  0.27  1.0
  Bi  Bi2  1  0.0  0.28  0.27  1.0
  Mo  Mo3  1  0.0  0.0  0.54  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_Bi2MoAs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.45
_cell_length_b   6.45
_cell_length_c   5.57
_cell_angle_alpha   90.0
_cell_angle_beta   125.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Bi2MoAs
_chemical_formula_sum   'Bi4 Mo2 As2'
_cell_volume   188.87
_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
  Bi  Bi0  4  0.36  0.36  0.99  1.0
  Mo  Mo1  2  0.0  0.0  0.54  1.0
  As  As2  2  0.0  0.0  0.0  1.0

Bi Bi Mo As
MoBi2As crystallizes in the monoclinic Cm space group. Mo(1) is bonded in a 5-coordinate geometry to four equivalent Bi(1) and one As(1) atom. There are two shorter (2.80 Å) and two longer (3.21 Å) Mo(1)-Bi(1) bond lengths. The Mo(1)-As(1) bond length is 2.54 Å. Bi(1) is bonded in a single-bond geometry to two equivalent Mo(1) and one As(1) atom. The Bi(1)-As(1) bond length is 1.26 Å. As(1) is bonded in an L-shaped geometry to one Mo(1) and two equivalent Bi(1) atoms.