data_HfSnMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   4.58
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSnMo
_chemical_formula_sum   'Hf1 Sn1 Mo1'
_cell_volume   68.06
_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  0.24  0.24  0.24  1.0
  Sn  Sn2  1  0.86  0.86  0.86  1.0
  Mo  Mo1  1  0.0  0.0  0.0  1.0

data_HfSnMo
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   11.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   HfSnMo
_chemical_formula_sum   'Hf3 Sn3 Mo3'
_cell_volume   204.19
_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  0.76  1.0
  Sn  Sn1  3  0.0  0.0  0.14  1.0
  Mo  Mo2  3  0.0  0.0  0.0  1.0

Hf Sn Mo
Hf Sn Mo 0 2 o o o 0 2 o o + 0 2 + o o 0 2 o + o 0 1 - - o 0 1 - o - 0 1 o - - 1 2 + + + 
HfMoSn crystallizes in the trigonal R3m space group. Hf(1) is bonded to four equivalent Mo(1) and three equivalent Sn(1) atoms to form a mixture of distorted corner and edge-sharing HfSn3Mo4 hexagonal pyramids. There is one shorter (2.70 Å) and three longer (2.84 Å) Hf(1)-Mo(1) bond lengths. All Hf(1)-Sn(1) bond lengths are 2.70 Å. Mo(1) is bonded in a 1-coordinate geometry to four equivalent Hf(1) and one Sn(1) atom. The Mo(1)-Sn(1) bond length is 1.56 Å. Sn(1) is bonded in a distorted single-bond geometry to three equivalent Hf(1) and one Mo(1) atom.