data_MnRuPt4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   5.15
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnRuPt4
_chemical_formula_sum   'Mn1 Ru1 Pt4'
_cell_volume   96.72
_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
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Ru  Ru5  1  0.46  0.46  0.46  1.0
  Pt  Pt1  1  0.55  0.55  0.73  1.0
  Pt  Pt2  1  0.55  0.73  0.55  1.0
  Pt  Pt3  1  0.73  0.55  0.55  1.0
  Pt  Pt4  1  0.73  0.73  0.73  1.0

data_MnRuPt4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   12.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   MnRuPt4
_chemical_formula_sum   'Mn3 Ru3 Pt12'
_cell_volume   290.15
_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
  Mn  Mn0  3  0.0  0.0  0.0  1.0
  Ru  Ru1  3  0.0  0.0  0.54  1.0
  Pt  Pt2  9  0.06  0.12  0.39  1.0
  Pt  Pt3  3  0.0  0.0  0.27  1.0

Mn Ru Pt Pt Pt Pt
MnRuPt4 crystallizes in the trigonal R3m space group. Mn(1) is bonded in a 13-coordinate geometry to three equivalent Ru(1), four equivalent Pt(2), and six equivalent Pt(1) atoms. All Mn(1)-Ru(1) bond lengths are 3.41 Å. There are three shorter (3.09 Å) and one longer (3.38 Å) Mn(1)-Pt(2) bond length. All Mn(1)-Pt(1) bond lengths are 2.83 Å. Ru(1) is bonded in a 9-coordinate geometry to three equivalent Mn(1), three equivalent Pt(1), and three equivalent Pt(2) atoms. All Ru(1)-Pt(1) bond lengths are 1.95 Å. All Ru(1)-Pt(2) bond lengths are 3.09 Å. There are two inequivalent Pt sites. In the first Pt site, Pt(2) is bonded in a 10-coordinate geometry to four equivalent Mn(1), three equivalent Ru(1), and three equivalent Pt(1) atoms. All Pt(2)-Pt(1) bond lengths are 1.58 Å. In the second Pt site, Pt(1) is bonded in a 2-coordinate geometry to two equivalent Mn(1), one Ru(1), one Pt(2), and two equivalent Pt(1) atoms. Both Pt(1)-Pt(1) bond lengths are 0.91 Å.