data_[K4As4S8]
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_1/c]
_cell_length_a [6.5194]
_cell_length_b [12.9421]
_cell_length_c [6.0941]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.6890]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [KAsS2]
_chemical_formula_sum '[K4 As4 S8]'
_cell_volume [514.1560]
_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  0.4688  0.1265  0.2550  1.0
  As  As1  4  0.0849  0.6522  0.7697  1.0
  S  S2  4  0.0235  0.6770  0.1477  1.0
  S  S3  4  0.4155  0.6280  0.7451  1.0
]