data_BaMg4Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.94
_cell_length_b   5.94
_cell_length_c   5.94
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMg4Co
_chemical_formula_sum   'Ba1 Mg4 Co1'
_cell_volume   148.02
_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
  Ba  Ba0  1  0.3  0.3  0.3  1.0
  Mg  Mg2  1  0.26  0.26  0.14  1.0
  Mg  Mg3  1  0.26  0.14  0.26  1.0
  Mg  Mg4  1  0.14  0.26  0.26  1.0
  Mg  Mg5  1  0.14  0.14  0.14  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0

data_BaMg4Co
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.94
_cell_length_b   5.94
_cell_length_c   14.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   BaMg4Co
_chemical_formula_sum   'Ba3 Mg12 Co3'
_cell_volume   444.07
_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
  Ba  Ba0  3  0.0  0.0  0.7  1.0
  Mg  Mg1  9  0.08  0.04  0.78  1.0
  Mg  Mg2  3  0.0  0.0  0.86  1.0
  Co  Co3  3  0.0  0.0  0.0  1.0

Ba Mg Mg Mg Mg Co
Ba Mg Mg Mg Mg Co 0 3 o o o 0 2 o o o 0 1 o o o 1 2 o o o 1 3 o o o 1 4 o o o 2 3 o o o 2 4 o o o 3 4 o o o 4 5 o o o 
BaMg3MgCo is Zincblende, Sphalerite structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three BaMg3 clusters and three MgCo clusters. In each BaMg3 cluster, Ba(1) is bonded in a 3-coordinate geometry to three equivalent Mg(1) atoms. All Ba(1)-Mg(1) bond lengths are 1.23 Å. Mg(1) is bonded in a 3-coordinate geometry to one Ba(1) and two equivalent Mg(1) atoms. Both Mg(1)-Mg(1) bond lengths are 0.70 Å. In each MgCo cluster, Mg(2) is bonded in a distorted single-bond geometry to one Co(1) atom. The Mg(2)-Co(1) bond length is 2.04 Å. Co(1) is bonded in a distorted single-bond geometry to one Mg(2) atom.