data_BeMo2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.11
_cell_length_b   3.11
_cell_length_c   6.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeMo2Pb
_chemical_formula_sum   'Be1 Mo2 Pb1'
_cell_volume   67.66
_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  0.56  0.56  0.18  1.0
  Mo  Mo2  1  0.56  0.56  0.8  1.0
  Pb  Pb3  1  0.0  0.0  0.49  1.0

data_BeMo2Pb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.4
_cell_length_b   4.4
_cell_length_c   6.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeMo2Pb
_chemical_formula_sum   'Be2 Mo4 Pb2'
_cell_volume   135.32
_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
  Mo  Mo1  2  0.06  0.5  0.18  1.0
  Mo  Mo2  2  0.06  0.5  0.8  1.0
  Pb  Pb3  2  0.0  0.0  0.49  1.0

Be Mo Mo Pb
BeMo2Pb crystallizes in the monoclinic Cm space group. Be(1) is bonded in a distorted body-centered cubic geometry to four equivalent Mo(1) and four equivalent Mo(2) atoms. There are a spread of Be(1)-Mo(1) bond distances ranging from 2.32-2.75 Å. There are a spread of Be(1)-Mo(2) bond distances ranging from 2.38-2.80 Å. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 4-coordinate geometry to four equivalent Be(1) and four equivalent Pb(1) atoms. There are a spread of Mo(1)-Pb(1) bond distances ranging from 2.93-3.28 Å. In the second Mo site, Mo(2) is bonded in a 3-coordinate geometry to four equivalent Be(1) and four equivalent Pb(1) atoms. There are a spread of Mo(2)-Pb(1) bond distances ranging from 2.93-3.28 Å. Pb(1) is bonded to four equivalent Mo(1), four equivalent Mo(2), and four equivalent Pb(1) atoms to form a mixture of distorted face and corner-sharing PbMo8Pb4 cuboctahedra. All Pb(1)-Pb(1) bond lengths are 3.11 Å.