data_MgZnMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.32
_cell_length_b   4.32
_cell_length_c   4.32
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgZnMo
_chemical_formula_sum   'Mg1 Zn1 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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.58  0.58  0.58  1.0
  Mo  Mo1  1  0.05  0.05  0.05  1.0

data_MgZnMo
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.32
_cell_length_b   4.32
_cell_length_c   10.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   MgZnMo
_chemical_formula_sum   'Mg3 Zn3 Mo3'
_cell_volume   170.8
_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
  Mg  Mg0  3  0.0  0.0  0.0  1.0
  Zn  Zn1  3  0.0  0.0  0.42  1.0
  Mo  Mo2  3  0.0  0.0  0.95  1.0

Mg Zn Mo
Mg Zn Mo 0 2 o o o 0 1 o - - 0 1 - o - 0 1 - - o 1 2 o o + 1 2 o + o 1 2 o + + 1 2 + o o 1 2 + o + 1 2 + + o 
MgMoZn crystallizes in the trigonal R3m space group. Mg(1) is bonded in a single-bond geometry to one Mo(1) and three equivalent Zn(1) atoms. The Mg(1)-Mo(1) bond length is 0.56 Å. All Mg(1)-Zn(1) bond lengths are 2.66 Å. Mo(1) is bonded in a single-bond geometry to one Mg(1) and three equivalent Zn(1) atoms. All Mo(1)-Zn(1) bond lengths are 3.22 Å. Zn(1) is bonded in a 6-coordinate geometry to three equivalent Mg(1) and three equivalent Mo(1) atoms.