data_[K4Na4Ti4S12]
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
  Ti  1.5400  1.4000  0.8517
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.0087]
_cell_length_b [7.9730]
_cell_length_c [8.4342]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2442]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KNaTiS3]
_chemical_formula_sum '[K4 Na4 Ti4 S12]'
_cell_volume [631.4665]
_cell_formula_units_Z [4]
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  0.1749  0.5000  0.1662  1
  Na  Na1  4  0.0000  0.2620  0.5000  1
  Ti  Ti2  4  0.0880  0.0000  0.1766  1
  S  S3  8  0.0646  0.2112  0.8487  1
  S  S4  4  0.2452  0.5000  0.5693  1
]