data_[K4Ta2Ag2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ta  1.5000  1.4500  0.8200
  Ag  1.9300  1.6000  1.0867
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.9889]
_cell_length_b [7.3987]
_cell_length_c [11.9330]
_cell_angle_alpha [84.1710]
_cell_angle_beta [75.4671]
_cell_angle_gamma [66.1262]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [K2TaAgS4]
_chemical_formula_sum '[K4 Ta2 Ag2 S8]'
_cell_volume [468.0387]
_cell_formula_units_Z [2]
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  1  0.1937  0.2469  0.1073  1
  K  K1  1  0.4537  0.7487  0.6088  1
  K  K2  1  0.5605  0.2534  0.3870  1
  K  K3  1  0.8100  0.7532  0.8909  1
  Ta  Ta4  1  0.3677  0.2484  0.7500  1
  Ta  Ta5  1  0.6170  0.7514  0.2488  1
  Ag  Ag6  1  0.1257  0.7563  0.2506  1
  Ag  Ag7  1  0.8662  0.2551  0.7508  1
  S  S8  1  0.1152  0.4484  0.6339  1
  S  S9  1  0.1987  0.0521  0.8647  1
  S  S10  1  0.2436  0.9564  0.3670  1
  S  S11  1  0.4363  0.4529  0.8661  1
  S  S12  1  0.5800  0.5436  0.1358  1
  S  S13  1  0.7449  0.0406  0.6353  1
  S  S14  1  0.7950  0.9546  0.1302  1
  S  S15  1  0.8855  0.5454  0.3689  1
]