data_[K1B3S5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  B  2.0400  0.8500  0.4100
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.4958]
_cell_length_b [6.0885]
_cell_length_c [6.2683]
_cell_angle_alpha [94.4178]
_cell_angle_beta [100.5950]
_cell_angle_gamma [110.2205]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [KB3S5]
_chemical_formula_sum '[K1 B3 S5]'
_cell_volume [191.2000]
_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  0.8402  0.2263  0.2196  1
  B  B1  1  0.0127  0.7136  0.8799  1
  B  B2  1  0.3668  0.0311  0.6535  1
  B  B3  1  0.4176  0.5606  0.7101  1
  S  S4  1  0.0770  0.4615  0.7862  1
  S  S5  1  0.2328  0.0218  0.9009  1
  S  S6  1  0.4237  0.2948  0.5193  1
  S  S7  1  0.4393  0.7972  0.5165  1
  S  S8  1  0.7011  0.6648  0.9768  1
]