data_[K4Ag4P4S12]
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
  P  2.1900  1.0000  0.5500
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.1864]
_cell_length_b [6.9752]
_cell_length_c [8.0015]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.3371]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KAgPS3]
_chemical_formula_sum '[K4 Ag4 P4 S12]'
_cell_volume [619.7077]
_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  0.1950  0.5000  0.7188  1.0
  Ag  Ag1  4  0.0000  0.2610  0.0000  1.0
  P  P2  4  0.0205  0.0000  0.6532  1.0
  S  S3  8  0.0682  0.2453  0.3251  1.0
  S  S4  4  0.1978  0.0000  0.8048  1.0
]