data_[K2Na6Ce4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Na  0.9300  1.8000  1.1600
  Ce  1.1200  1.8500  1.0800
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.7895]
_cell_length_b [4.1669]
_cell_length_c [8.4491]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.4961]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KNa3(CeS3)2]
_chemical_formula_sum '[K2 Na6 Ce4 S12]'
_cell_volume [613.7468]
_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
  Na  Na1  4  0.1582  0.0000  0.8303  1.0
  Na  Na2  2  0.0000  0.5000  0.5000  1.0
  Ce  Ce3  4  0.1636  0.0000  0.3305  1.0
  S  S4  4  0.0152  0.0000  0.2772  1.0
  S  S5  4  0.1746  0.5000  0.5616  1.0
  S  S6  4  0.1773  0.5000  0.1228  1.0
]