data_BeBiMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.18
_cell_length_b   3.18
_cell_length_c   6.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeBiMo2
_chemical_formula_sum   'Be1 Bi1 Mo2'
_cell_volume   69.34
_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
  Bi  Bi1  1  0.0  0.0  0.43  1.0
  Mo  Mo2  1  0.59  0.59  0.69  1.0
  Mo  Mo3  1  0.59  0.59  0.18  1.0

data_BeBiMo2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.5
_cell_length_b   4.5
_cell_length_c   6.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeBiMo2
_chemical_formula_sum   'Be2 Bi2 Mo4'
_cell_volume   138.68
_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
  Bi  Bi1  2  0.0  0.0  0.43  1.0
  Mo  Mo2  2  0.09  0.5  0.18  1.0
  Mo  Mo3  2  0.09  0.5  0.69  1.0

Be Bi Mo Mo
BeMo2Bi crystallizes in the monoclinic Cm space group. Be(1) is bonded in a 8-coordinate geometry to three equivalent Mo(1), four equivalent Mo(2), and one Bi(1) atom. There is one shorter (2.83 Å) and two longer (3.13 Å) Be(1)-Mo(1) bond lengths. There are a spread of Be(1)-Mo(2) bond distances ranging from 2.20-2.91 Å. The Be(1)-Bi(1) bond length is 2.96 Å. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 2-coordinate geometry to three equivalent Be(1) and four equivalent Bi(1) atoms. There are a spread of Mo(1)-Bi(1) bond distances ranging from 2.55-3.18 Å. In the second Mo site, Mo(2) is bonded in a 1-coordinate geometry to four equivalent Be(1) and four equivalent Bi(1) atoms. There are a spread of Mo(2)-Bi(1) bond distances ranging from 2.55-3.18 Å. Bi(1) is bonded in a 13-coordinate geometry to one Be(1), four equivalent Mo(1), four equivalent Mo(2), and four equivalent Bi(1) atoms. All Bi(1)-Bi(1) bond lengths are 3.18 Å.