data_[K4As4S4O4]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [5.0498]
_cell_length_b [5.7488]
_cell_length_c [13.2845]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.5897]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [KAsSO]
_chemical_formula_sum '[K4 As4 S4 O4]'
_cell_volume [380.2636]
_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  2  0.2644  0.2364  0.5496  1
  K  K1  2  0.3820  0.4688  0.7826  1
  As  As2  2  0.1008  0.4117  0.1651  1
  As  As3  2  0.4874  0.0711  0.9789  1
  S  S4  2  0.1794  0.0002  0.3412  1
  S  S5  2  0.1919  0.5235  0.3267  1
  O  O6  2  0.2440  0.6526  0.0903  1
  O  O7  2  0.2472  0.0308  0.8591  1
]