data_K2SmTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.13
_cell_length_b   6.13
_cell_length_c   6.13
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2SmTe
_chemical_formula_sum   'K2 Sm1 Te1'
_cell_volume   162.95
_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  0.17  0.17  0.17  1.0
  K  K1  1  0.5  0.5  0.5  1.0
  Sm  Sm2  1  0.34  0.34  0.34  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0

data_K2SmTe
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.13
_cell_length_b   6.13
_cell_length_c   15.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   K2SmTe
_chemical_formula_sum   'K6 Sm3 Te3'
_cell_volume   488.85
_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  0.5  1.0
  K  K1  3  0.0  0.0  0.83  1.0
  Sm  Sm2  3  0.0  0.0  0.66  1.0
  Te  Te3  3  0.0  0.0  0.0  1.0

K K Sm Te
K K Sm Te 0 3 o o o 0 2 o o o 1 2 o o o 
K2SmTe crystallizes in the trigonal R3m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a linear geometry to one Sm(1) and one Te(1) atom. The K(1)-Sm(1) bond length is 2.52 Å. The K(1)-Te(1) bond length is 2.52 Å. In the second K site, K(2) is bonded in a single-bond geometry to one Sm(1) atom. The K(2)-Sm(1) bond length is 2.52 Å. Sm(1) is bonded to one K(1), one K(2), and three equivalent Te(1) atoms to form distorted SmK2Te3 trigonal bipyramids that share corners with six equivalent Sm(1)K2Te3 trigonal bipyramids and  a cornercorner with one Te(1)KSm3 trigonal pyramid. All Sm(1)-Te(1) bond lengths are 3.54 Å. Te(1) is bonded to one K(1) and three equivalent Sm(1) atoms to form distorted TeKSm3 trigonal pyramids that share  a cornercorner with one Sm(1)K2Te3 trigonal bipyramid and corners with six equivalent Te(1)KSm3 trigonal pyramids.