data_[K12As4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_13]
_cell_length_a [9.4031]
_cell_length_b [9.4031]
_cell_length_c [9.4031]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [198]
_chemical_formula_structural [K3AsS3]
_chemical_formula_sum '[K12 As4 S12]'
_cell_volume [831.4188]
_cell_formula_units_Z [4]
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  0.0596  0.5596  0.9404  1
  K  K1  4  0.0662  0.4338  0.5662  1
  K  K2  4  0.1737  0.8263  0.3263  1
  As  As3  4  0.2275  0.2275  0.2275  1
  S  S4  12  0.0435  0.7543  0.6549  1
]