data_BaZnInCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaZnInCo
_chemical_formula_sum   'Ba1 Zn1 In1 Co1'
_cell_volume   99.23
_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  0.67  0.67  0.67  1.0
  Zn  Zn3  1  0.84  0.84  0.84  1.0
  In  In2  1  0.51  0.51  0.51  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0

data_BaZnInCo
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   12.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   BaZnInCo
_chemical_formula_sum   'Ba3 Zn3 In3 Co3'
_cell_volume   297.68
_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  0.33  1.0
  Zn  Zn1  3  0.0  0.0  0.16  1.0
  In  In2  3  0.0  0.0  0.49  1.0
  Co  Co3  3  0.0  0.0  0.0  1.0

Ba Zn In Co
Ba Zn In Co 0 2 o o o 0 1 o o o 1 3 + + + 
BaCoZnIn crystallizes in the trigonal R3m space group. Ba(1) is bonded to three equivalent Co(1), one Zn(1), and one In(1) atom to form distorted BaZnInCo3 trigonal bipyramids that share corners with six equivalent Ba(1)ZnInCo3 trigonal bipyramids and  a cornercorner with one Co(1)Ba3Zn trigonal pyramid. All Ba(1)-Co(1) bond lengths are 3.00 Å. The Ba(1)-Zn(1) bond length is 2.07 Å. The Ba(1)-In(1) bond length is 2.07 Å. Co(1) is bonded to three equivalent Ba(1) and one Zn(1) atom to form CoBa3Zn trigonal pyramids that share  a cornercorner with one Ba(1)ZnInCo3 trigonal bipyramid and corners with six equivalent Co(1)Ba3Zn trigonal pyramids. The Co(1)-Zn(1) bond length is 2.07 Å. Zn(1) is bonded in a distorted linear geometry to one Ba(1) and one Co(1) atom. In(1) is bonded in a single-bond geometry to one Ba(1) atom.