data_Zn2CrMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.13
_cell_length_b   9.13
_cell_length_c   9.13
_cell_angle_alpha   17.02
_cell_angle_beta   17.02
_cell_angle_gamma   17.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2CrMo
_chemical_formula_sum   'Zn2 Cr1 Mo1'
_cell_volume   56.93
_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
  Zn  Zn2  1  0.0  0.0  0.15  1.0
  Zn  Zn3  1  0.0  0.0  0.85  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.0  0.0  0.5  1.0

data_Zn2CrMo
_symmetry_space_group_name_H-M   C2/m
_cell_length_a   4.68
_cell_length_b   2.7
_cell_length_c   9.13
_cell_angle_alpha   90.0
_cell_angle_beta   99.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   12
_chemical_formula_structural   Zn2CrMo
_chemical_formula_sum   'Zn4 Cr2 Mo2'
_cell_volume   113.86
_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, y, -z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, -z'
  7  '-x+1/2, y+1/2, -z'
  8  '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
  Zn  Zn0  4  0.0  0.0  0.15  1.0
  Cr  Cr1  2  0.0  0.0  0.0  1.0
  Mo  Mo2  2  0.0  0.0  0.5  1.0

Zn Zn Cr Mo
Zn Zn Cr Mo 0 2 o o o 0 3 o o o 1 2 o o + 1 3 o o o 3 3 o + - 3 3 + - o 3 3 + o - 
MoCrZn2 crystallizes in the monoclinic C2/m space group. Mo(1) is bonded to six equivalent Mo(1) and two equivalent Zn(1) atoms to form a mixture of edge and corner-sharing MoZn2Mo6 hexagonal bipyramids. All Mo(1)-Mo(1) bond lengths are 2.70 Å. Both Mo(1)-Zn(1) bond lengths are 3.20 Å. Cr(1) is bonded in a linear geometry to two equivalent Zn(1) atoms. Both Cr(1)-Zn(1) bond lengths are 1.37 Å. Zn(1) is bonded in a distorted single-bond geometry to one Mo(1) and one Cr(1) atom.