data_MgRh4W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   5.1
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgRh4W
_chemical_formula_sum   'Mg1 Rh4 W1'
_cell_volume   93.59
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Rh  Rh1  1  0.51  0.51  0.7  1.0
  Rh  Rh2  1  0.51  0.7  0.51  1.0
  Rh  Rh3  1  0.7  0.51  0.51  1.0
  Rh  Rh4  1  0.7  0.7  0.7  1.0
  W  W5  1  0.41  0.41  0.41  1.0

data_MgRh4W
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   12.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   MgRh4W
_chemical_formula_sum   'Mg3 Rh12 W3'
_cell_volume   280.76
_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
  Mg  Mg0  3  0.0  0.0  0.0  1.0
  Rh  Rh1  9  0.06  0.13  0.43  1.0
  Rh  Rh2  3  0.0  0.0  0.3  1.0
  W  W3  3  0.0  0.0  0.59  1.0

Mg Rh Rh Rh Rh W
MgWRh4 crystallizes in the trigonal R3m space group. Mg(1) is bonded to three equivalent W(1), three equivalent Rh(2), and six equivalent Rh(1) atoms to form distorted face-sharing MgRh9W3 cuboctahedra. All Mg(1)-W(1) bond lengths are 3.08 Å. All Mg(1)-Rh(2) bond lengths are 2.97 Å. All Mg(1)-Rh(1) bond lengths are 2.95 Å. W(1) is bonded in a 12-coordinate geometry to three equivalent Mg(1), three equivalent Rh(2), and six equivalent Rh(1) atoms. All W(1)-Rh(2) bond lengths are 2.98 Å. There are three shorter (2.15 Å) and three longer (3.16 Å) W(1)-Rh(1) bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh(1) is bonded in a 2-coordinate geometry to two equivalent Mg(1), two equivalent W(1), one Rh(2), and two equivalent Rh(1) atoms. The Rh(1)-Rh(2) bond length is 1.71 Å. Both Rh(1)-Rh(1) bond lengths are 0.99 Å. In the second Rh site, Rh(2) is bonded in a 9-coordinate geometry to three equivalent Mg(1), three equivalent W(1), and three equivalent Rh(1) atoms.