data_[K6Ta2Ag4S12]
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 [C2/m]
_cell_length_a [6.6070]
_cell_length_b [12.1904]
_cell_length_c [7.3834]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.5649]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3Ta(AgS3)2]
_chemical_formula_sum '[K6 Ta2 Ag4 S12]'
_cell_volume [572.8637]
_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  4  0.0000  0.1834  0.5000  1
  K  K1  2  0.0000  0.5000  0.5000  1
  Ta  Ta2  2  0.0000  0.0000  0.0000  1
  Ag  Ag3  4  0.0000  0.3420  0.0000  1
  S  S4  8  0.2305  0.1485  0.1817  1
  S  S5  4  0.2154  0.0000  0.7833  1
]