data_Zr2MoCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.88
_cell_length_b   5.88
_cell_length_c   5.88
_cell_angle_alpha   141.97
_cell_angle_beta   141.97
_cell_angle_gamma   54.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2MoCl
_chemical_formula_sum   'Zr2 Mo1 Cl1'
_cell_volume   76.54
_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  0.0  0.22  1.0
  Zr  Zr3  1  0.0  0.92  0.61  1.0
  Mo  Mo1  1  0.92  0.0  0.61  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Zr2MoCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.83
_cell_length_b   3.83
_cell_length_c   5.88
_cell_angle_alpha   109.01
_cell_angle_beta   109.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2MoCl
_chemical_formula_sum   'Zr2 Mo1 Cl1'
_cell_volume   76.54
_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  0.31  0.92  0.31  1.0
  Zr  Zr1  1  0.78  0.0  0.78  1.0
  Mo  Mo2  1  0.39  0.0  0.31  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Zr Zr Mo Cl
Zr Zr Mo Cl 0 3 o o o 1 2 - + o 
Zr(Mo)ZrCl crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Zr(Mo) cluster and one ZrCl cluster. In the Zr(Mo) cluster, Zr(2) is bonded in a single-bond geometry to one Mo(1) atom. The Zr(2)-Mo(1) bond length is 0.46 Å. Mo(1) is bonded in a single-bond geometry to one Zr(2) atom. In the ZrCl cluster, Zr(1) is bonded in a single-bond geometry to one Cl(1) atom. The Zr(1)-Cl(1) bond length is 1.28 Å. Cl(1) is bonded in a distorted single-bond geometry to one Zr(1) atom.