data_BaSrFeRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSrFeRu
_chemical_formula_sum   'Ba1 Sr1 Fe1 Ru1'
_cell_volume   98.93
_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
  Ba  Ba0  1  0.84  0.84  0.84  1.0
  Sr  Sr3  1  0.67  0.67  0.67  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.51  0.51  0.51  1.0

data_BaSrFeRu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   12.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   BaSrFeRu
_chemical_formula_sum   'Ba3 Sr3 Fe3 Ru3'
_cell_volume   296.78
_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  0.16  1.0
  Sr  Sr1  3  0.0  0.0  0.33  1.0
  Fe  Fe2  3  0.0  0.0  0.0  1.0
  Ru  Ru3  3  0.0  0.0  0.49  1.0

Ba Sr Fe Ru
BaSrRuFe crystallizes in the trigonal R3m space group. Ba(1) is bonded to one Sr(1), three equivalent Ru(1), and one Fe(1) atom to form distorted BaSrFeRu3 trigonal bipyramids that share corners with six equivalent Ba(1)SrFeRu3 trigonal bipyramids,  a cornercorner with one Ru(1)Ba3Sr trigonal pyramid, and corners with three equivalent Fe(1)BaSr3 trigonal pyramids. The Ba(1)-Sr(1) bond length is 2.09 Å. All Ba(1)-Ru(1) bond lengths are 3.00 Å. The Ba(1)-Fe(1) bond length is 2.09 Å. Sr(1) is bonded in a 5-coordinate geometry to one Ba(1), one Ru(1), and three equivalent Fe(1) atoms. The Sr(1)-Ru(1) bond length is 2.09 Å. All Sr(1)-Fe(1) bond lengths are 3.00 Å. Ru(1) is bonded to three equivalent Ba(1) and one Sr(1) atom to form distorted RuBa3Sr trigonal pyramids that share  a cornercorner with one Ba(1)SrFeRu3 trigonal bipyramid, corners with six equivalent Ru(1)Ba3Sr trigonal pyramids, and edges with three equivalent Fe(1)BaSr3 trigonal pyramids. Fe(1) is bonded to one Ba(1) and three equivalent Sr(1) atoms to form distorted FeBaSr3 trigonal pyramids that share corners with three equivalent Ba(1)SrFeRu3 trigonal bipyramids, corners with six equivalent Fe(1)BaSr3 trigonal pyramids, and edges with three equivalent Ru(1)Ba3Sr trigonal pyramids.