data_SrCoCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   4.7
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCoCu
_chemical_formula_sum   'Sr1 Co1 Cu1'
_cell_volume   73.43
_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  Sr2  1  0.66  0.66  0.66  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.32  0.32  0.32  1.0

data_SrCoCu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   11.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SrCoCu
_chemical_formula_sum   'Sr3 Co3 Cu3'
_cell_volume   220.28
_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  0.34  1.0
  Co  Co1  3  0.0  0.0  0.0  1.0
  Cu  Cu2  3  0.0  0.0  0.68  1.0

Sr Co Cu
Sr Co Cu 0 2 o o + 0 2 o + o 0 2 + o o 0 1 o + + 0 1 + o + 0 1 + + o 1 2 - o o 1 2 o - o 1 2 o o - 
SrCoCu crystallizes in the trigonal R3m space group. Sr(1) is bonded to four equivalent Co(1) and four equivalent Cu(1) atoms to form distorted SrCo4Cu4 hexagonal bipyramids that share corners with six equivalent Co(1)Sr4Cu3 hexagonal pyramids, corners with six equivalent Cu(1)Sr4Co3 hexagonal pyramids, edges with twelve equivalent Sr(1)Co4Cu4 hexagonal bipyramids, edges with three equivalent Co(1)Sr4Cu3 hexagonal pyramids, and edges with three equivalent Cu(1)Sr4Co3 hexagonal pyramids. There are three shorter (2.71 Å) and one longer (3.89 Å) Sr(1)-Co(1) bond length. There are three shorter (2.71 Å) and one longer (3.89 Å) Sr(1)-Cu(1) bond length. Co(1) is bonded to four equivalent Sr(1) and three equivalent Cu(1) atoms to form distorted CoSr4Cu3 hexagonal pyramids that share corners with six equivalent Sr(1)Co4Cu4 hexagonal bipyramids, corners with four equivalent Cu(1)Sr4Co3 hexagonal pyramids, corners with six equivalent Co(1)Sr4Cu3 hexagonal pyramids, edges with three equivalent Sr(1)Co4Cu4 hexagonal bipyramids, edges with six equivalent Co(1)Sr4Cu3 hexagonal pyramids, and edges with six equivalent Cu(1)Sr4Co3 hexagonal pyramids. All Co(1)-Cu(1) bond lengths are 2.72 Å. Cu(1) is bonded to four equivalent Sr(1) and three equivalent Co(1) atoms to form distorted CuSr4Co3 hexagonal pyramids that share corners with six equivalent Sr(1)Co4Cu4 hexagonal bipyramids, corners with four equivalent Co(1)Sr4Cu3 hexagonal pyramids, corners with six equivalent Cu(1)Sr4Co3 hexagonal pyramids, edges with three equivalent Sr(1)Co4Cu4 hexagonal bipyramids, edges with six equivalent Co(1)Sr4Cu3 hexagonal pyramids, and edges with six equivalent Cu(1)Sr4Co3 hexagonal pyramids.