data_KTe4Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.42
_cell_length_b   6.42
_cell_length_c   6.42
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTe4Os
_chemical_formula_sum   'K1 Te4 Os1'
_cell_volume   186.89
_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
  K  K0  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.41  0.41  0.66  1.0
  Te  Te3  1  0.41  0.66  0.41  1.0
  Te  Te4  1  0.66  0.41  0.41  1.0
  Te  Te5  1  0.66  0.66  0.66  1.0
  Os  Os1  1  0.27  0.27  0.27  1.0

data_KTe4Os
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.42
_cell_length_b   6.42
_cell_length_c   15.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   KTe4Os
_chemical_formula_sum   'K3 Te12 Os3'
_cell_volume   560.67
_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
  K  K0  3  0.0  0.0  0.0  1.0
  Te  Te1  9  0.08  0.16  0.5  1.0
  Te  Te2  3  0.0  0.0  0.34  1.0
  Os  Os3  3  0.0  0.0  0.73  1.0

K Te Te Te Te Os
KOsTe4 crystallizes in the trigonal R3m space group. K(1) is bonded in a 9-coordinate geometry to three equivalent Os(1), three equivalent Te(1), and three equivalent Te(2) atoms. All K(1)-Os(1) bond lengths are 3.84 Å. All K(1)-Te(1) bond lengths are 3.79 Å. All K(1)-Te(2) bond lengths are 3.71 Å. Os(1) is bonded in a 6-coordinate geometry to three equivalent K(1) and three equivalent Te(1) atoms. All Os(1)-Te(1) bond lengths are 3.25 Å. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 5-coordinate geometry to one K(1), one Os(1), one Te(2), and two equivalent Te(1) atoms. The Te(1)-Te(2) bond length is 2.74 Å. Both Te(1)-Te(1) bond lengths are 1.58 Å. In the second Te site, Te(2) is bonded in a 6-coordinate geometry to three equivalent K(1) and three equivalent Te(1) atoms.