data_ZrCrMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   5.26
_cell_angle_alpha   144.68
_cell_angle_beta   128.72
_cell_angle_gamma   63.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCrMo2
_chemical_formula_sum   'Zr1 Cr1 Mo2'
_cell_volume   65.0
_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  0.0  0.28  0.03  1.0
  Cr  Cr0  1  0.0  0.0  0.81  1.0
  Mo  Mo1  1  0.0  0.28  0.43  1.0
  Mo  Mo2  1  0.0  0.0  0.14  1.0

data_ZrCrMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   4.56
_cell_length_c   5.26
_cell_angle_alpha   115.64
_cell_angle_beta   107.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCrMo2
_chemical_formula_sum   'Zr1 Cr1 Mo2'
_cell_volume   65.0
_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  0.72  0.75  0.75  1.0
  Cr  Cr1  1  0.0  0.81  0.81  1.0
  Mo  Mo2  1  0.0  0.14  0.14  1.0
  Mo  Mo3  1  0.72  0.15  0.15  1.0

Zr Cr Mo Mo
Zr Cr Mo Mo 0 1 o o - 2 3 o o o 
ZrMo2Cr crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one ZrMo2Cr cluster. Zr(1) is bonded in a single-bond geometry to one Cr(1) atom. The Zr(1)-Cr(1) bond length is 0.85 Å. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 1-coordinate geometry to one Mo(2) atom. The Mo(1)-Mo(2) bond length is 0.91 Å. In the second Mo site, Mo(2) is bonded in a distorted water-like geometry to one Mo(1) and one Cr(1) atom. The Mo(2)-Cr(1) bond length is 1.72 Å. Cr(1) is bonded in a 1-coordinate geometry to one Zr(1) and one Mo(2) atom.