data_[K4Ag4As4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ag  1.9300  1.6000  1.0867
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.1934]
_cell_length_b [7.2167]
_cell_length_c [8.2985]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.4357]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KAgAsS3]
_chemical_formula_sum '[K4 Ag4 As4 S12]'
_cell_volume [653.8734]
_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  0.1955  0.5000  0.7199  1.0
  Ag  Ag1  4  0.0000  0.2787  0.0000  1.0
  As  As2  4  0.0256  0.0000  0.6663  1.0
  S  S3  8  0.0712  0.2532  0.3172  1.0
  S  S4  4  0.2187  0.0000  0.8314  1.0
]