data_[K4Ti2Sn2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ti  1.5400  1.4000  0.8517
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [9.5845]
_cell_length_b [8.2724]
_cell_length_c [6.5147]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [K2TiSnS4]
_chemical_formula_sum '[K4 Ti2 Sn2 S8]'
_cell_volume [516.5305]
_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  0.2443  0.3279  0.4602  1.0
  Ti  Ti1  2  0.0000  0.1441  0.0052  1.0
  Sn  Sn2  2  0.0000  0.8112  0.4728  1.0
  S  S3  4  0.1957  0.2895  0.9439  1.0
  S  S4  2  0.0000  0.1020  0.3547  1.0
  S  S5  2  0.0000  0.8880  0.8589  1.0
]