data_BaMoRuRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   4.73
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMoRuRh
_chemical_formula_sum   'Ba1 Mo1 Ru1 Rh1'
_cell_volume   75.07
_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  0.67  0.67  0.67  1.0
  Mo  Mo1  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.02  0.02  0.02  1.0
  Rh  Rh2  1  0.35  0.35  0.35  1.0

data_BaMoRuRh
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   11.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   BaMoRuRh
_chemical_formula_sum   'Ba3 Mo3 Ru3 Rh3'
_cell_volume   225.2
_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  0.33  1.0
  Mo  Mo1  3  0.0  0.0  0.0  1.0
  Ru  Ru2  3  0.0  0.0  0.98  1.0
  Rh  Rh3  3  0.0  0.0  0.65  1.0

Ba Mo Ru Rh
Ba Mo Ru Rh 0 3 o o + 0 3 o + o 0 3 + o o 0 2 o + + 0 2 + o + 0 2 + + o 0 1 o + + 0 1 + o + 0 1 + + o 1 2 o o o 1 3 o o - 1 3 o - o 1 3 - o o 2 3 o o - 2 3 o - o 2 3 - o o 
BaMoRuRh crystallizes in the trigonal R3m space group. Ba(1) is bonded in a 11-coordinate geometry to four equivalent Mo(1), three equivalent Ru(1), and four equivalent Rh(1) atoms. There are three shorter (2.74 Å) and one longer (3.78 Å) Ba(1)-Mo(1) bond length. All Ba(1)-Ru(1) bond lengths are 2.74 Å. There are three shorter (2.74 Å) and one longer (3.78 Å) Ba(1)-Rh(1) bond length. Mo(1) is bonded in a single-bond geometry to four equivalent Ba(1) and one Ru(1) atom. The Mo(1)-Ru(1) bond length is 0.26 Å. Ru(1) is bonded in a single-bond geometry to three equivalent Ba(1) and one Mo(1) atom. Rh(1) is bonded in a 3-coordinate geometry to four equivalent Ba(1) atoms.