data_[K2Ce4Ag6S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ce  1.1200  1.8500  1.0800
  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 [15.7535]
_cell_length_b [4.2081]
_cell_length_c [9.1775]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.8061]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KCe2(AgS2)3]
_chemical_formula_sum '[K2 Ce4 Ag6 S12]'
_cell_volume [605.2854]
_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
  Ce  Ce1  4  0.1648  0.0000  0.3348  1.0
  Ag  Ag2  4  0.1581  0.0000  0.7442  1.0
  Ag  Ag3  2  0.0000  0.5000  0.5000  1.0
  S  S4  4  0.0002  0.0000  0.7278  1.0
  S  S5  4  0.1647  0.5000  0.5405  1.0
  S  S6  4  0.1918  0.5000  0.1558  1.0
]