data_K6CoS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.81
_cell_length_b   9.81
_cell_length_c   7.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K6CoS4
_chemical_formula_sum   'K12 Co2 S8'
_cell_volume   642.97
_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  0.98  0.5  0.69  1.0
  K  K1  1  0.9  0.5  0.83  1.0
  K  K2  1  0.02  0.5  0.69  1.0
  K  K3  1  0.0  1.0  0.69  1.0
  K  K4  1  0.9  0.0  0.33  1.0
  K  K5  1  0.25  0.25  0.19  1.0
  K  K6  1  0.88  1.0  0.83  1.0
  K  K7  1  0.75  0.25  0.19  1.0
  K  K8  1  0.0  0.49  0.19  1.0
  K  K9  1  0.65  0.25  0.33  1.0
  K  K10  1  0.16  0.25  0.33  1.0
  K  K11  1  0.92  1.0  0.83  1.0
  Co  Co12  1  0.0  0.66  0.95  1.0
  Co  Co13  1  0.9  0.83  0.81  1.0
  S  S14  1  0.0  0.4  0.2  1.0
  S  S15  1  0.86  0.7  0.06  1.0
  S  S16  1  0.95  0.7  0.06  1.0
  S  S17  1  0.96  0.79  0.2  1.0
  S  S18  1  0.04  0.79  0.2  1.0
  S  S19  1  0.9  0.09  0.06  1.0
  S  S20  1  0.0  0.66  0.32  1.0
  S  S21  1  0.9  0.83  0.46  1.0

data_K6CoS4
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.72
_cell_length_b   9.81
_cell_length_c   9.81
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K6CoS4
_chemical_formula_sum   'K12 Co2 S8'
_cell_volume   642.97
_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  0.19  -0.0  0.49  1.0
  K  K1  1  0.19  0.25  0.25  1.0
  K  K2  1  0.19  0.75  0.25  1.0
  K  K3  1  0.33  0.16  0.25  1.0
  K  K4  1  0.33  0.65  0.25  1.0
  K  K5  1  0.33  0.9  0.0  1.0
  K  K6  1  0.69  -0.0  1.0  1.0
  K  K7  1  0.69  0.02  0.5  1.0
  K  K8  1  0.69  0.98  0.5  1.0
  K  K9  1  0.83  0.88  1.0  1.0
  K  K10  1  0.83  0.9  0.5  1.0
  K  K11  1  0.83  0.92  1.0  1.0
  Co  Co12  1  0.81  0.9  0.83  1.0
  Co  Co13  1  0.95  -0.0  0.66  1.0
  S  S14  1  0.06  0.86  0.7  1.0
  S  S15  1  0.06  0.9  0.09  1.0
  S  S16  1  0.06  0.95  0.7  1.0
  S  S17  1  0.2  -0.0  0.4  1.0
  S  S18  1  0.2  0.04  0.79  1.0
  S  S19  1  0.2  0.96  0.79  1.0
  S  S20  1  0.32  -0.0  0.66  1.0
  S  S21  1  0.46  0.9  0.83  1.0

K K K K K K K K K K K K Co Co S S S S S S S S
K K K K K K K K K K K K Co Co S S S S S S S S 0 2 + o o 0 1 o o o 1 2 + o o 3 11 - o o 3 6 - o o 3 13 - o o 3 21 - o o 4 19 o o o 4 21 o - o 4 10 + o o 5 10 o o o 6 11 o o o 6 13 o o o 6 19 o + + 7 9 o o o 8 14 o o o 11 13 o o o 11 19 o + + 12 16 - o + 15 16 o o o 17 18 + o o 17 21 o o o 18 20 o o o 