data_[K2Ti2Fe2S6]
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
  Fe  1.8300  1.4000  0.8525
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.4409]
_cell_length_b [3.5030]
_cell_length_c [9.0858]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.2018]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KTiFeS3]
_chemical_formula_sum '[K2 Ti2 Fe2 S6]'
_cell_volume [245.0398]
_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  0.2197  0.2500  0.2430  1.0
  Ti  Ti1  2  0.3177  0.7500  0.8443  1.0
  Fe  Fe2  2  0.0862  0.2500  0.6036  1.0
  S  S3  2  0.1265  0.2500  0.8609  1.0
  S  S4  2  0.1973  0.7500  0.5399  1.0
  S  S5  2  0.4688  0.7500  0.1455  1.0
]