data_K2SnTe5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.9
_cell_length_b   9.9
_cell_length_c   9.9
_cell_angle_alpha   128.03
_cell_angle_beta   128.03
_cell_angle_gamma   76.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2SnTe5
_chemical_formula_sum   'K4 Sn2 Te10'
_cell_volume   584.11
_cell_formula_units_Z   2
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  0.65  1.0
  K  K1  1  0.0  0.0  0.88  1.0
  K  K2  1  0.0  0.0  0.77  1.0
  K  K3  1  0.0  0.0  0.0  1.0
  Sn  Sn4  1  0.0  0.34  0.88  1.0
  Sn  Sn5  1  0.34  0.0  0.88  1.0
  Te  Te6  1  0.77  0.44  0.9  1.0
  Te  Te7  1  0.56  0.9  0.13  1.0
  Te  Te8  1  0.56  0.77  0.9  1.0
  Te  Te9  1  0.77  0.56  0.13  1.0
  Te  Te10  1  0.77  0.44  0.64  1.0
  Te  Te11  1  0.56  0.9  0.87  1.0
  Te  Te12  1  0.56  0.77  0.64  1.0
  Te  Te13  1  0.77  0.56  0.87  1.0
  Te  Te14  1  0.0  0.34  0.0  1.0
  Te  Te15  1  0.34  0.0  0.0  1.0

data_K2SnTe5
_symmetry_space_group_name_H-M   P1
_cell_length_a   8.67
_cell_length_b   8.67
_cell_length_c   9.9
_cell_angle_alpha   115.99
_cell_angle_beta   115.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2SnTe5
_chemical_formula_sum   'K4 Sn2 Te10'
_cell_volume   584.11
_cell_formula_units_Z   2
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
  K  K1  1  0.65  0.65  0.65  1.0
  K  K2  1  0.77  0.77  0.77  1.0
  K  K3  1  0.88  0.88  0.88  1.0
  Sn  Sn4  1  0.55  0.88  0.55  1.0
  Sn  Sn5  1  0.88  0.55  0.55  1.0
  Te  Te6  1  0.0  0.66  0.66  1.0
  Te  Te7  1  0.12  0.34  0.56  1.0
  Te  Te8  1  0.2  0.86  0.42  1.0
  Te  Te9  1  0.23  0.57  0.67  1.0
  Te  Te10  1  0.31  0.09  0.53  1.0
  Te  Te11  1  0.46  0.12  0.69  1.0
  Te  Te12  1  0.57  0.36  0.8  1.0
  Te  Te13  1  0.66  -0.0  0.66  1.0
  Te  Te14  1  0.86  0.07  0.3  1.0
  Te  Te15  1  0.97  0.31  0.41  1.0

K K K K Sn Sn Te Te Te Te Te Te Te Te Te Te
K K K K Sn Sn Te Te Te Te Te Te Te Te Te Te 0 2 o o o 1 2 o o o 1 3 o o + 4 14 o o + 5 15 o o + 6 13 o o o 6 9 o o + 7 15 o + o 7 8 o o - 8 11 o o o 10 13 o o o 11 12 o o o 
K2SnTe5 crystallizes in the triclinic P1 space group. There are four inequivalent K sites. In the first K site, K(1) is bonded in a 5-coordinate geometry to one K(3), one Sn(1), one Sn(2), one Te(2), and one Te(4) atom. The K(1)-K(3) bond length is 1.15 Å. The K(1)-Sn(1) bond length is 2.63 Å. The K(1)-Sn(2) bond length is 2.63 Å. The K(1)-Te(2) bond length is 3.80 Å. The K(1)-Te(4) bond length is 3.62 Å. In the second K site, K(2) is bonded in a 4-coordinate geometry to one K(3), one K(4), one Te(10), and one Te(9) atom. The K(2)-K(3) bond length is 1.15 Å. The K(2)-K(4) bond length is 1.15 Å. The K(2)-Te(10) bond length is 2.77 Å. The K(2)-Te(9) bond length is 2.77 Å. In the third K site, K(3) is bonded in a 4-coordinate geometry to one K(1), one K(2), one Te(10), and one Te(9) atom. The K(3)-Te(10) bond length is 2.63 Å. The K(3)-Te(9) bond length is 2.63 Å. In the fourth K site, K(4) is bonded in a 1-coordinate geometry to one K(2) and one Te(7) atom. The K(4)-Te(7) bond length is 3.48 Å. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a distorted single-bond geometry to one K(1), one Te(1), one Te(5), and one Te(9) atom. The Sn(1)-Te(1) bond length is 2.28 Å. The Sn(1)-Te(5) bond length is 2.70 Å. The Sn(1)-Te(9) bond length is 1.15 Å. In the second Sn site, Sn(2) is bonded in a distorted single-bond geometry to one K(1), one Te(10), and one Te(6) atom. The Sn(2)-Te(10) bond length is 1.15 Å. The Sn(2)-Te(6) bond length is 2.28 Å. There are ten inequivalent Te sites. In the first Te site, Te(1) is bonded in a 4-coordinate geometry to one Sn(1), one Te(4), one Te(8), and one Te(9) atom. The Te(1)-Te(4) bond length is 1.82 Å. The Te(1)-Te(8) bond length is 1.42 Å. The Te(1)-Te(9) bond length is 2.11 Å. In the second Te site, Te(2) is bonded in a 3-coordinate geometry to one K(1), one Te(10), and one Te(3) atom. The Te(2)-Te(10) bond length is 2.17 Å. The Te(2)-Te(3) bond length is 1.82 Å. In the third Te site, Te(3) is bonded in a 3-coordinate geometry to one Te(2), one Te(6), and one Te(8) atom. The Te(3)-Te(6) bond length is 1.42 Å. The Te(3)-Te(8) bond length is 2.63 Å. In the fourth Te site, Te(4) is bonded in a distorted bent 120 degrees geometry to one K(1) and one Te(1) atom. In the fifth Te site, Te(5) is bonded in a 2-coordinate geometry to one Sn(1) and one Te(8) atom. The Te(5)-Te(8) bond length is 1.82 Å. In the sixth Te site, Te(6) is bonded in a 3-coordinate geometry to one Sn(2), one Te(3), and one Te(7) atom. The Te(6)-Te(7) bond length is 1.82 Å. In the seventh Te site, Te(7) is bonded in a distorted L-shaped geometry to one K(4) and one Te(6) atom. In the eighth Te site, Te(8) is bonded in a 3-coordinate geometry to one Te(1), one Te(3), and one Te(5) atom. In the ninth Te site, Te(9) is bonded in a distorted single-bond geometry to one K(2), one K(3), one Sn(1), and one Te(1) atom. In the tenth Te site, Te(10) is bonded in a distorted single-bond geometry to one K(2), one K(3), one Sn(2), and one Te(2) atom.