data_MnRuPbW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.47
_cell_length_b   4.47
_cell_length_c   4.47
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnRuPbW
_chemical_formula_sum   'Mn1 Ru1 Pb1 W1'
_cell_volume   63.37
_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  Ru2  1  0.16  0.16  0.16  1.0
  Pb  Pb1  1  0.75  0.75  0.75  1.0
  W  W3  1  0.58  0.58  0.58  1.0

data_MnRuPbW
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.47
_cell_length_b   4.47
_cell_length_c   10.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   MnRuPbW
_chemical_formula_sum   'Mn3 Ru3 Pb3 W3'
_cell_volume   190.1
_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  0.84  1.0
  Pb  Pb2  3  0.0  0.0  0.25  1.0
  W  W3  3  0.0  0.0  0.42  1.0

Mn Ru Pb W
Mn Ru Pb W 0 1 o o o 2 3 o o o 
WMnRuPb crystallizes in the trigonal R3m space group. W(1) is bonded in a 7-coordinate geometry to three equivalent Mn(1), three equivalent Ru(1), and one Pb(1) atom. All W(1)-Mn(1) bond lengths are 2.74 Å. All W(1)-Ru(1) bond lengths are 2.74 Å. The W(1)-Pb(1) bond length is 1.80 Å. Mn(1) is bonded in a distorted single-bond geometry to three equivalent W(1), one Ru(1), and four equivalent Pb(1) atoms. The Mn(1)-Ru(1) bond length is 1.80 Å. There are three shorter (2.73 Å) and one longer (2.78 Å) Mn(1)-Pb(1) bond length. Ru(1) is bonded in a single-bond geometry to three equivalent W(1), one Mn(1), and three equivalent Pb(1) atoms. All Ru(1)-Pb(1) bond lengths are 2.74 Å. Pb(1) is bonded in a 8-coordinate geometry to one W(1), four equivalent Mn(1), and three equivalent Ru(1) atoms.