data_[K2Ag4Bi6S12]
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
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.4277]
_cell_length_b [4.1128]
_cell_length_c [8.6290]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.1347]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KAg2(BiS2)3]
_chemical_formula_sum '[K2 Ag4 Bi6 S12]'
_cell_volume [599.7791]
_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  2  0.0000  0.5000  0.0000  1.0
  Ag  Ag1  4  0.1658  0.0000  0.3051  1.0
  Bi  Bi2  4  0.1671  0.0000  0.8306  1.0
  Bi  Bi3  2  0.0000  0.5000  0.5000  1.0
  S  S4  4  0.0155  0.0000  0.2840  1.0
  S  S5  4  0.1727  0.5000  0.6142  1.0
  S  S6  4  0.1768  0.5000  0.0857  1.0
]