data_SrZrFeRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   4.71
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZrFeRh
_chemical_formula_sum   'Sr1 Zr1 Fe1 Rh1'
_cell_volume   73.69
_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  0.33  0.33  0.33  1.0
  Zr  Zr3  1  0.66  0.66  0.66  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Rh  Rh1  1  0.99  0.99  0.99  1.0

data_SrZrFeRh
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   11.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SrZrFeRh
_chemical_formula_sum   'Sr3 Zr3 Fe3 Rh3'
_cell_volume   221.07
_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
  Sr  Sr0  3  0.0  0.0  0.67  1.0
  Zr  Zr1  3  0.0  0.0  0.34  1.0
  Fe  Fe2  3  0.0  0.0  0.0  1.0
  Rh  Rh3  3  0.0  0.0  0.01  1.0

Sr Zr Fe Rh
Sr Zr Fe Rh 0 2 o o + 0 2 o + o 0 2 + o o 0 3 - - o 0 3 - o - 0 3 o - - 0 1 - o o 0 1 o - o 0 1 o o - 1 2 o + + 1 2 + o + 1 2 + + o 1 3 - o o 1 3 o - o 1 3 o o - 2 3 - - - 
SrZrFeRh crystallizes in the trigonal R3m space group. Sr(1) is bonded in a 11-coordinate geometry to four equivalent Zr(1), four equivalent Fe(1), and three equivalent Rh(1) atoms. There are three shorter (2.72 Å) and one longer (3.88 Å) Sr(1)-Zr(1) bond length. There are three shorter (2.72 Å) and one longer (3.78 Å) Sr(1)-Fe(1) bond length. All Sr(1)-Rh(1) bond lengths are 2.72 Å. Zr(1) is bonded in a 11-coordinate geometry to four equivalent Sr(1), three equivalent Fe(1), and four equivalent Rh(1) atoms. All Zr(1)-Fe(1) bond lengths are 2.72 Å. There are three shorter (2.72 Å) and one longer (3.78 Å) Zr(1)-Rh(1) bond length. Fe(1) is bonded in a single-bond geometry to four equivalent Sr(1), three equivalent Zr(1), and one Rh(1) atom. The Fe(1)-Rh(1) bond length is 0.10 Å. Rh(1) is bonded in a single-bond geometry to three equivalent Sr(1), four equivalent Zr(1), and one Fe(1) atom.