data_[K4Ni4Ag4Se8S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ni  1.9100  1.3500  0.7400
  Ag  1.9300  1.6000  1.0867
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.6848]
_cell_length_b [14.6238]
_cell_length_c [10.3515]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [KNiAgSe2S]
_chemical_formula_sum '[K4 Ni4 Ag4 Se8 S4]'
_cell_volume [557.7952]
_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  0.0000  0.2417  0.7500  1
  Ni  Ni1  4  0.0000  0.5000  0.0000  1
  Ag  Ag2  4  0.0000  0.0576  0.2500  1
  Se  Se3  8  0.0000  0.1081  0.0140  1
  S  S4  4  0.0000  0.4411  0.2500  1
]