data_HfTe4Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.02
_cell_length_b   6.02
_cell_length_c   6.02
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTe4Os
_chemical_formula_sum   'Hf1 Te4 Os1'
_cell_volume   154.05
_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  0.0  0.0  0.0  1.0
  Te  Te2  1  0.19  0.19  0.32  1.0
  Te  Te3  1  0.19  0.32  0.19  1.0
  Te  Te4  1  0.32  0.19  0.19  1.0
  Te  Te5  1  0.32  0.32  0.32  1.0
  Os  Os1  1  0.13  0.13  0.13  1.0

data_HfTe4Os
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.02
_cell_length_b   6.02
_cell_length_c   14.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   HfTe4Os
_chemical_formula_sum   'Hf3 Te12 Os3'
_cell_volume   462.15
_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
  Hf  Hf0  3  0.0  0.0  0.0  1.0
  Te  Te1  9  0.04  0.08  0.77  1.0
  Te  Te2  3  0.0  0.0  0.68  1.0
  Os  Os3  3  0.0  0.0  0.87  1.0

Hf Te Te Te Te Os
Hf Te Te Te Te Os 0 5 o o o 1 3 o o o 1 2 o o o 1 4 o o o 1 5 o o o 2 3 o o o 2 4 o o o 2 5 o o o 3 4 o o o 3 5 o o o 
HfOsTe4 crystallizes in the trigonal R3m space group. Hf(1) is bonded in a single-bond geometry to one Os(1), three equivalent Te(1), and three equivalent Te(2) atoms. The Hf(1)-Os(1) bond length is 1.88 Å. All Hf(1)-Te(1) bond lengths are 3.38 Å. All Hf(1)-Te(2) bond lengths are 3.48 Å. Os(1) is bonded in a single-bond geometry to one Hf(1) and three equivalent Te(1) atoms. All Os(1)-Te(1) bond lengths are 1.64 Å. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 5-coordinate geometry to one Hf(1), one Os(1), one Te(2), and two equivalent Te(1) atoms. The Te(1)-Te(2) bond length is 1.26 Å. Both Te(1)-Te(1) bond lengths are 0.73 Å. In the second Te site, Te(2) is bonded in a 6-coordinate geometry to three equivalent Hf(1) and three equivalent Te(1) atoms.