data_K2Mn3S4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.31
_cell_length_b   6.03
_cell_length_c   11.15
_cell_angle_alpha   90.0
_cell_angle_beta   112.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2Mn3S4
_chemical_formula_sum   'K4 Mn6 S8'
_cell_volume   454.43
_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  0.82  0.98  0.73  1.0
  K  K1  1  0.88  0.0  0.16  1.0
  K  K2  1  0.0  0.0  0.0  1.0
  K  K3  1  0.94  0.05  0.58  1.0
  Mn  Mn4  1  0.41  0.51  0.46  1.0
  Mn  Mn5  1  0.55  0.51  0.01  1.0
  Mn  Mn6  1  0.67  0.52  0.85  1.0
  Mn  Mn7  1  0.52  0.52  0.3  1.0
  Mn  Mn8  1  0.6  0.5  0.58  1.0
  Mn  Mn9  1  0.48  0.52  0.73  1.0
  S  S10  1  0.21  0.22  0.66  1.0
  S  S11  1  0.47  0.2  0.72  1.0
  S  S12  1  0.73  0.2  0.43  1.0
  S  S13  1  0.75  0.22  0.81  1.0
  S  S14  1  0.35  0.83  0.88  1.0
  S  S15  1  0.61  0.83  0.59  1.0
  S  S16  1  0.33  0.8  0.5  1.0
  S  S17  1  0.87  0.8  0.65  1.0

data_K2Mn3S4
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.03
_cell_length_b   7.31
_cell_length_c   10.76
_cell_angle_alpha   106.63
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2Mn3S4
_chemical_formula_sum   'K4 Mn6 S8'
_cell_volume   454.43
_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  0.0  0.27  0.16  1.0
  K  K2  1  0.05  0.64  0.58  1.0
  K  K3  1  0.98  0.91  0.73  1.0
  Mn  Mn4  1  0.5  0.98  0.58  1.0
  Mn  Mn5  1  0.51  0.05  0.46  1.0
  Mn  Mn6  1  0.51  0.46  0.01  1.0
  Mn  Mn7  1  0.52  0.18  0.85  1.0
  Mn  Mn8  1  0.52  0.78  0.3  1.0
  Mn  Mn9  1  0.52  0.25  0.73  1.0
  S  S10  1  0.2  0.25  0.72  1.0
  S  S11  1  0.2  0.71  0.43  1.0
  S  S12  1  0.22  0.06  0.81  1.0
  S  S13  1  0.22  0.45  0.66  1.0
  S  S14  1  0.8  0.18  0.5  1.0
  S  S15  1  0.8  0.78  0.65  1.0
  S  S16  1  0.83  0.52  0.88  1.0
  S  S17  1  0.83  0.98  0.59  1.0

K K K K Mn Mn Mn Mn Mn Mn S S S S S S S S
K K K K Mn Mn Mn Mn Mn Mn S S S S S S S S 0 17 o o o 0 3 o + o 0 13 o + o 0 15 o o o 1 2 + o o 2 13 - o - 3 17 o - o 3 12 o o o 3 10 + o o 4 8 o o o 4 7 o o o 4 16 o o o 5 14 o o - 5 6 o o - 6 9 o o o 6 13 o o o 6 14 o o o 7 12 o o o 8 15 o o o 9 11 o o o 9 14 o o o 10 11 o o o 10 14 o - o 11 13 o o o 11 14 o - o 15 16 o o o 15 17 o o o 
K2Mn3S4 crystallizes in the triclinic P1 space group. There are four inequivalent K sites. In the first K site, K(1) is bonded in a 3-coordinate geometry to one S(4), one S(6), and one S(8) atom. The K(1)-S(4) bond length is 1.85 Å. The K(1)-S(6) bond length is 1.99 Å. The K(1)-S(8) bond length is 1.51 Å. In the second K site, K(2) is bonded in a 4-coordinate geometry to one K(3), two equivalent Mn(2), and one S(3) atom. The K(2)-K(3) bond length is 2.20 Å. There is one shorter (3.78 Å) and one longer (3.84 Å) K(2)-Mn(2) bond length. The K(2)-S(3) bond length is 3.88 Å. In the third K site, K(3) is bonded in a 1-coordinate geometry to one K(2), one S(4), and one S(5) atom. The K(3)-S(4) bond length is 2.61 Å. The K(3)-S(5) bond length is 3.50 Å. In the fourth K site, K(4) is bonded in a trigonal planar geometry to one S(1), one S(3), and one S(8) atom. The K(4)-S(1) bond length is 2.12 Å. The K(4)-S(3) bond length is 1.99 Å. The K(4)-S(8) bond length is 1.85 Å. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted L-shaped geometry to one Mn(5) and one S(7) atom. The Mn(1)-Mn(5) bond length is 1.54 Å. The Mn(1)-S(7) bond length is 2.02 Å. In the second Mn site, Mn(2) is bonded in a 1-coordinate geometry to two equivalent K(2) and one S(5) atom. The Mn(2)-S(5) bond length is 2.56 Å. In the third Mn site, Mn(3) is bonded in a distorted L-shaped geometry to one Mn(6) and one S(4) atom. The Mn(3)-Mn(6) bond length is 1.54 Å. The Mn(3)-S(4) bond length is 2.02 Å. In the fourth Mn site, Mn(4) is bonded in a 1-coordinate geometry to one S(3) atom. The Mn(4)-S(3) bond length is 2.56 Å. In the fifth Mn site, Mn(5) is bonded in a 1-coordinate geometry to one Mn(1) and one S(6) atom. The Mn(5)-S(6) bond length is 1.98 Å. In the sixth Mn site, Mn(6) is bonded in a 1-coordinate geometry to one Mn(3), one S(2), and one S(5) atom. The Mn(6)-S(2) bond length is 1.98 Å. The Mn(6)-S(5) bond length is 2.83 Å. There are eight inequivalent S sites. In the first S site, S(1) is bonded in a distorted single-bond geometry to one K(4) atom. In the second S site, S(2) is bonded in a distorted single-bond geometry to one Mn(6) atom. In the third S site, S(3) is bonded in a distorted single-bond geometry to one K(2), one K(4), and one Mn(4) atom. In the fourth S site, S(4) is bonded in a 1-coordinate geometry to one K(1), one K(3), and one Mn(3) atom. In the fifth S site, S(5) is bonded in a 3-coordinate geometry to one K(3), one Mn(2), and one Mn(6) atom. In the sixth S site, S(6) is bonded in a distorted bent 120 degrees geometry to one K(1) and one Mn(5) atom. In the seventh S site, S(7) is bonded in a 1-coordinate geometry to one Mn(1) atom. In the eighth S site, S(8) is bonded in a 2-coordinate geometry to one K(1) and one K(4) atom.