data_ZrCrSbMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   4.67
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCrSbMo
_chemical_formula_sum   'Zr1 Cr1 Sb1 Mo1'
_cell_volume   71.89
_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  Zr1  1  0.65  0.65  0.65  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Sb  Sb0  1  0.3  0.3  0.3  1.0
  Mo  Mo3  1  0.95  0.95  0.95  1.0

data_ZrCrSbMo
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   11.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   ZrCrSbMo
_chemical_formula_sum   'Zr3 Cr3 Sb3 Mo3'
_cell_volume   215.66
_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
  Zr  Zr0  3  0.0  0.0  0.35  1.0
  Cr  Cr1  3  0.0  0.0  0.0  1.0
  Sb  Sb2  3  0.0  0.0  0.7  1.0
  Mo  Mo3  3  0.0  0.0  0.05  1.0

Zr Cr Sb Mo
Zr Cr Sb Mo 0 2 o o + 0 2 o + o 0 2 + o o 0 1 o + + 0 1 + o + 0 1 + + o 0 3 - o o 0 3 o - o 0 3 o o - 1 3 - - - 1 2 o o - 1 2 o - o 1 2 - o o 2 3 - - o 2 3 - o - 2 3 o - - 
ZrMoCrSb crystallizes in the trigonal R3m space group. Zr(1) is bonded in a 10-coordinate geometry to four equivalent Mo(1), three equivalent Cr(1), and three equivalent Sb(1) atoms. There are three shorter (2.72 Å) and one longer (3.43 Å) Zr(1)-Mo(1) bond length. All Zr(1)-Cr(1) bond lengths are 2.70 Å. All Zr(1)-Sb(1) bond lengths are 2.70 Å. Mo(1) is bonded in a single-bond geometry to four equivalent Zr(1), one Cr(1), and three equivalent Sb(1) atoms. The Mo(1)-Cr(1) bond length is 0.57 Å. All Mo(1)-Sb(1) bond lengths are 2.70 Å. Cr(1) is bonded in a single-bond geometry to three equivalent Zr(1), one Mo(1), and four equivalent Sb(1) atoms. There are three shorter (2.72 Å) and one longer (3.43 Å) Cr(1)-Sb(1) bond length. Sb(1) is bonded in a distorted trigonal planar geometry to three equivalent Zr(1), three equivalent Mo(1), and four equivalent Cr(1) atoms.