data_[K7S1N12]
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 [P1]
_cell_length_a [5.9705]
_cell_length_b [9.4104]
_cell_length_c [9.6773]
_cell_angle_alpha [107.7844]
_cell_angle_beta [106.4680]
_cell_angle_gamma [105.4220]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [K7SN12]
_chemical_formula_sum '[K7 S1 N12]'
_cell_volume [458.0157]
_cell_formula_units_Z [1]
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  0.1962  0.9777  0.3544  1
  K  K1  1  0.2496  0.7679  0.7036  1
  K  K2  1  0.4140  0.6704  0.1265  1
  K  K3  1  0.5417  0.5077  0.4956  1
  K  K4  1  0.6849  0.3889  0.9123  1
  K  K5  1  0.7426  0.1803  0.2360  1
  K  K6  1  0.8684  0.0562  0.6919  1
  S  S7  1  0.8203  0.7967  0.9361  1
  N  N8  1  0.0940  0.4055  0.5795  1
  N  N9  1  0.1323  0.3158  0.0066  1
  N  N10  1  0.1884  0.2641  0.1036  1
  N  N11  1  0.2450  0.2137  0.2012  1
  N  N12  1  0.3692  0.0726  0.6925  1
  N  N13  1  0.4247  0.7655  0.4411  1
  N  N14  1  0.6290  0.2707  0.5927  1
  N  N15  1  0.6548  0.8753  0.9956  1
  N  N16  1  0.7167  0.9628  0.3744  1
  N  N17  1  0.7338  0.4982  0.2447  1
  N  N18  1  0.8353  0.7880  0.7804  1
  N  N19  1  0.9591  0.7220  0.0312  1
]