data_[K10B4S10]
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 [C2/m]
_cell_length_a [13.8133]
_cell_length_b [4.0368]
_cell_length_c [10.2734]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.2599]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K5B2S5]
_chemical_formula_sum '[K10 B4 S10]'
_cell_volume [566.9222]
_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  0.1508  0.5000  0.0875  1
  K  K1  4  0.2092  0.0000  0.6383  1
  K  K2  2  0.0000  0.5000  0.5000  1
  B  B3  4  0.0174  0.0000  0.8039  1
  S  S4  4  0.0932  0.5000  0.7878  1
  S  S5  4  0.1008  0.0000  0.3162  1
  S  S6  2  0.0000  0.0000  0.0000  1
]