data_[K2S12N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  S  2.5800  1.0000  0.8800
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.5073]
_cell_length_b [6.4105]
_cell_length_c [6.3232]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.2232]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K(S3N)2]
_chemical_formula_sum '[K2 S12 N4]'
_cell_volume [469.3238]
_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  0.0000  0.0000  0.0000  1
  S  S1  8  0.2245  0.2244  0.8098  1
  S  S2  4  0.0000  0.1574  0.5000  1
  N  N3  4  0.2226  0.5000  0.2285  1
]