data_SrTiZnCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   4.65
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTiZnCo
_chemical_formula_sum   'Sr1 Ti1 Zn1 Co1'
_cell_volume   71.26
_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
  Sr  Sr1  1  0.65  0.65  0.65  1.0
  Ti  Ti2  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.29  0.29  0.29  1.0
  Co  Co0  1  0.94  0.94  0.94  1.0

data_SrTiZnCo
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   11.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SrTiZnCo
_chemical_formula_sum   'Sr3 Ti3 Zn3 Co3'
_cell_volume   213.79
_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
  Sr  Sr0  3  0.0  0.0  0.35  1.0
  Ti  Ti1  3  0.0  0.0  0.0  1.0
  Zn  Zn2  3  0.0  0.0  0.71  1.0
  Co  Co3  3  0.0  0.0  0.06  1.0

Sr Ti Zn Co
Sr Ti Zn Co 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 - - 
SrTiCoZn crystallizes in the trigonal R3m space group. Sr(1) is bonded in a 10-coordinate geometry to three equivalent Ti(1), four equivalent Co(1), and three equivalent Zn(1) atoms. All Sr(1)-Ti(1) bond lengths are 2.70 Å. There are three shorter (2.73 Å) and one longer (3.31 Å) Sr(1)-Co(1) bond length. All Sr(1)-Zn(1) bond lengths are 2.70 Å. Ti(1) is bonded in a single-bond geometry to three equivalent Sr(1), one Co(1), and four equivalent Zn(1) atoms. The Ti(1)-Co(1) bond length is 0.73 Å. There are three shorter (2.73 Å) and one longer (3.31 Å) Ti(1)-Zn(1) bond length. Co(1) is bonded in a single-bond geometry to four equivalent Sr(1), one Ti(1), and three equivalent Zn(1) atoms. All Co(1)-Zn(1) bond lengths are 2.70 Å. Zn(1) is bonded in a 10-coordinate geometry to three equivalent Sr(1), four equivalent Ti(1), and three equivalent Co(1) atoms.