data_HfMgMnW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   4.54
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMgMnW
_chemical_formula_sum   'Hf1 Mg1 Mn1 W1'
_cell_volume   66.3
_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
  Hf  Hf0  1  0.21  0.21  0.21  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Mn  Mn2  1  0.61  0.61  0.61  1.0
  W  W3  1  0.82  0.82  0.82  1.0

data_HfMgMnW
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   11.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   HfMgMnW
_chemical_formula_sum   'Hf3 Mg3 Mn3 W3'
_cell_volume   198.89
_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
  Hf  Hf0  3  0.0  0.0  0.79  1.0
  Mg  Mg1  3  0.0  0.0  0.0  1.0
  Mn  Mn2  3  0.0  0.0  0.39  1.0
  W  W3  3  0.0  0.0  0.18  1.0

Hf Mg Mn W
Hf Mg Mn W 0 1 o o o 0 1 o o + 0 1 + o o 0 1 o + o 0 3 - - o 0 3 - o - 0 3 o - - 0 2 - o o 0 2 o - o 0 2 o o - 1 3 - - - 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 
MgHfWMn crystallizes in the trigonal R3m space group. Mg(1) is bonded in a single-bond geometry to one Hf(1) and one W(1) atom. The Mg(1)-Hf(1) bond length is 2.36 Å. The Mg(1)-W(1) bond length is 2.02 Å. Hf(1) is bonded in a 7-coordinate geometry to one Mg(1), three equivalent W(1), and three equivalent Mn(1) atoms. All Hf(1)-W(1) bond lengths are 2.71 Å. All Hf(1)-Mn(1) bond lengths are 2.71 Å. W(1) is bonded in a 2-coordinate geometry to one Mg(1), three equivalent Hf(1), and one Mn(1) atom. The W(1)-Mn(1) bond length is 2.36 Å. Mn(1) is bonded in a distorted single-bond geometry to three equivalent Hf(1) and one W(1) atom.