data_[K4Mn4Nb2S12]
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
  Nb  1.6000  1.4500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.9446]
_cell_length_b [10.3785]
_cell_length_c [7.7775]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2617]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Mn2NbS6]
_chemical_formula_sum '[K4 Mn4 Nb2 S12]'
_cell_volume [467.0416]
_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  4  0.0000  0.1617  0.0000  1.0
  Mn  Mn1  4  0.0000  0.3386  0.5000  1.0
  Nb  Nb2  2  0.0000  0.0000  0.5000  1.0
  S  S3  8  0.2311  0.1771  0.6779  1.0
  S  S4  4  0.1980  0.5000  0.6847  1.0
]