data_Zr2BiMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.67
_cell_length_b   5.67
_cell_length_c   5.67
_cell_angle_alpha   136.33
_cell_angle_beta   136.33
_cell_angle_gamma   63.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2BiMo
_chemical_formula_sum   'Zr2 Bi1 Mo1'
_cell_volume   85.56
_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
  Zr  Zr2  1  0.0  0.11  0.41  1.0
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.11  0.0  0.41  1.0
  Mo  Mo1  1  0.0  0.0  0.82  1.0

data_Zr2BiMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.21
_cell_length_b   4.21
_cell_length_c   5.67
_cell_angle_alpha   111.83
_cell_angle_beta   111.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2BiMo
_chemical_formula_sum   'Zr2 Bi1 Mo1'
_cell_volume   85.56
_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
  Zr  Zr0  1  0.0  0.0  0.0  1.0
  Zr  Zr1  1  0.3  0.41  0.3  1.0
  Bi  Bi2  1  0.41  0.3  0.3  1.0
  Mo  Mo3  1  0.82  0.82  0.82  1.0

Zr Zr Bi Mo
Zr(Mo)BiZr is BCT5 structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one BiZr cluster and one Zr(Mo) cluster. In the BiZr cluster, Zr(1) is bonded in a single-bond geometry to one Bi(1) atom. The Zr(1)-Bi(1) bond length is 0.64 Å. Bi(1) is bonded in a single-bond geometry to one Zr(1) atom. In the Zr(Mo) cluster, Zr(2) is bonded in a distorted single-bond geometry to one Mo(1) atom. The Zr(2)-Mo(1) bond length is 1.03 Å. Mo(1) is bonded in a single-bond geometry to one Zr(2) atom.