data_[K4Cu16Se8S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [7.6909]
_cell_length_b [8.3623]
_cell_length_c [11.4498]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [42]
_chemical_formula_structural [KCu4Se2S]
_chemical_formula_sum '[K4 Cu16 Se8 S4]'
_cell_volume [736.3804]
_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  0.0000  0.0177  1
  Cu  Cu1  8  0.0000  0.1616  0.6501  1
  Cu  Cu2  8  0.1718  0.0000  0.3382  1
  Se  Se3  8  0.2500  0.2500  0.2540  1
  S  S4  4  0.0000  0.0000  0.4980  1
]