data_ZnSbMo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   4.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnSbMo3
_chemical_formula_sum   'Zn1 Sb1 Mo3'
_cell_volume   117.28
_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  Zn4  1  0.0  0.0  0.0  1.0
  Sb  Sb0  1  0.45  0.45  0.45  1.0
  Mo  Mo1  1  0.45  0.0  0.45  1.0
  Mo  Mo2  1  0.45  0.45  0.0  1.0
  Mo  Mo3  1  0.0  0.45  0.45  1.0

data_ZnSbMo3
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.92
_cell_length_b   6.92
_cell_length_c   8.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   ZnSbMo3
_chemical_formula_sum   'Zn3 Sb3 Mo9'
_cell_volume   351.85
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.0  1.0
  Sb  Sb1  3  0.0  0.0  0.45  1.0
  Mo  Mo2  9  0.04  0.52  0.96  1.0

Zn Sb Mo Mo Mo
Zn Sb Mo Mo Mo 0 3 - - o 0 3 - o o 0 3 o - o 0 3 o o o 0 2 - o - 0 2 - o o 0 2 o o - 0 2 o o o 0 4 o - - 0 4 o - o 0 4 o o - 0 4 o o o 0 1 o o o 1 4 o o o 1 2 o o o 1 3 o o o 
Mo3ZnSb is (Cubic) Perovskite structured and crystallizes in the trigonal R3m space group. Mo(1) is bonded in a 3-coordinate geometry to three equivalent Zn(1) and two equivalent Sb(1) atoms. There is one shorter (3.10 Å) and two longer (3.48 Å) Mo(1)-Zn(1) bond lengths. There is one shorter (2.19 Å) and one longer (2.70 Å) Mo(1)-Sb(1) bond length. Zn(1) is bonded in a 9-coordinate geometry to nine equivalent Mo(1) atoms. Sb(1) is bonded to six equivalent Mo(1) atoms to form corner-sharing SbMo6 octahedra. The corner-sharing octahedra are not tilted.