data_YZrSnRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   4.91
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZrSnRh
_chemical_formula_sum   'Y1 Zr1 Sn1 Rh1'
_cell_volume   83.68
_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
  Y  Y2  1  0.0  0.0  0.0  1.0
  Zr  Zr3  1  0.74  0.74  0.74  1.0
  Sn  Sn1  1  0.21  0.21  0.21  1.0
  Rh  Rh0  1  0.47  0.47  0.47  1.0

data_YZrSnRh
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   12.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   YZrSnRh
_chemical_formula_sum   'Y3 Zr3 Sn3 Rh3'
_cell_volume   251.04
_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
  Y  Y0  3  0.0  0.0  0.0  1.0
  Zr  Zr1  3  0.0  0.0  0.26  1.0
  Sn  Sn2  3  0.0  0.0  0.79  1.0
  Rh  Rh3  3  0.0  0.0  0.53  1.0

Y Zr Sn Rh
Y Zr Sn Rh 0 2 o - o 0 2 - o o 0 2 o o - 0 2 o o o 0 1 - - - 0 1 - - o 0 1 - o - 0 1 o - - 0 3 - o o 0 3 o - o 0 3 o o - 1 3 o o o 1 3 o o + 1 3 o + o 1 3 + o o 1 2 o + + 1 2 + o + 1 2 + + o 2 3 - o o 2 3 o - o 2 3 o o - 2 3 o o o 
YZrRhSn crystallizes in the trigonal R3m space group. Y(1) is bonded in a distorted single-bond geometry to four equivalent Zr(1), six equivalent Rh(1), and one Sn(1) atom. There are three shorter (2.95 Å) and one longer (3.18 Å) Y(1)-Zr(1) bond length. There are three shorter (3.29 Å) and three longer (3.68 Å) Y(1)-Rh(1) bond lengths. The Y(1)-Sn(1) bond length is 2.49 Å. Zr(1) is bonded in a 11-coordinate geometry to four equivalent Y(1), four equivalent Rh(1), and three equivalent Sn(1) atoms. There are three shorter (2.95 Å) and one longer (3.18 Å) Zr(1)-Rh(1) bond length. All Zr(1)-Sn(1) bond lengths are 3.29 Å. Rh(1) is bonded in a 14-coordinate geometry to six equivalent Y(1), four equivalent Zr(1), and four equivalent Sn(1) atoms. There are three shorter (2.95 Å) and one longer (3.18 Å) Rh(1)-Sn(1) bond length. Sn(1) is bonded in a distorted single-bond geometry to one Y(1), three equivalent Zr(1), and four equivalent Rh(1) atoms.