data_HfBiMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   3.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfBiMo2
_chemical_formula_sum   'Hf1 Bi1 Mo2'
_cell_volume   75.78
_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
  Hf  Hf1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.29  0.29  0.0  1.0
  Mo  Mo2  1  0.0  0.29  0.8  1.0
  Mo  Mo3  1  0.29  0.0  0.8  1.0

data_HfBiMo2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.49
_cell_length_b   6.49
_cell_length_c   3.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfBiMo2
_chemical_formula_sum   'Hf2 Bi2 Mo4'
_cell_volume   151.56
_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
  Hf  Hf0  2  0.0  0.0  0.0  1.0
  Bi  Bi1  2  0.29  0.0  0.0  1.0
  Mo  Mo2  4  0.15  0.15  0.8  1.0

Hf Bi Mo Mo
Hf Bi Mo Mo 0 3 o o - 0 2 o o - 1 2 o o - 1 3 o o - 
HfMo2Bi is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two HfMo2Bi clusters. Hf(1) is bonded in a 2-coordinate geometry to two equivalent Mo(1) and one Bi(1) atom. Both Hf(1)-Mo(1) bond lengths are 1.53 Å. The Hf(1)-Bi(1) bond length is 1.91 Å. Mo(1) is bonded in a 2-coordinate geometry to one Hf(1) and one Bi(1) atom. The Mo(1)-Bi(1) bond length is 1.53 Å. Bi(1) is bonded in a 3-coordinate geometry to one Hf(1) and two equivalent Mo(1) atoms.