data_ZrMnMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16
_cell_length_b   3.16
_cell_length_c   6.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrMnMo2
_chemical_formula_sum   'Zr1 Mn1 Mo2'
_cell_volume   64.16
_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  Zr3  1  0.58  0.58  0.27  1.0
  Mn  Mn0  1  0.0  0.0  0.93  1.0
  Mo  Mo1  1  0.58  0.58  0.37  1.0
  Mo  Mo2  1  0.0  0.0  0.47  1.0

data_ZrMnMo2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.47
_cell_length_b   4.47
_cell_length_c   6.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrMnMo2
_chemical_formula_sum   'Zr2 Mn2 Mo4'
_cell_volume   128.31
_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
  Zr  Zr0  2  0.08  0.5  0.27  1.0
  Mn  Mn1  2  0.0  0.0  0.93  1.0
  Mo  Mo2  2  0.0  0.0  0.47  1.0
  Mo  Mo3  2  0.08  0.5  0.37  1.0

Zr Mn Mo Mo
ZrMo2Mn crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two ZrMo2Mn clusters. Zr(1) is bonded in a single-bond geometry to one Mo(1) atom. The Zr(1)-Mo(1) bond length is 0.63 Å. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a single-bond geometry to one Zr(1) and one Mo(2) atom. The Mo(1)-Mo(2) bond length is 1.99 Å. In the second Mo site, Mo(2) is bonded in a 2-coordinate geometry to one Mo(1) and one Mn(1) atom. The Mo(2)-Mn(1) bond length is 2.93 Å. Mn(1) is bonded in a 1-coordinate geometry to one Mo(2) atom.