data_[K4Mn6S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Mn  1.5500  1.4000  0.6483
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [7.3128]
_cell_length_b [6.0270]
_cell_length_c [11.1461]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.3267]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [K2Mn3S4]
_chemical_formula_sum '[K4 Mn6 S8]'
_cell_volume [454.4291]
_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  2  0.5000  0.0000  0.0000  1.0
  K  K1  2  0.5000  0.4945  0.7500  1.0
  Mn  Mn2  4  0.0013  0.2500  0.9709  1.0
  Mn  Mn3  2  0.0000  0.2494  0.2500  1.0
  S  S4  4  0.2078  0.0326  0.1670  1.0
  S  S5  4  0.2081  0.4654  0.4369  1.0
]