data_[K2Tm2Si2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Tm  1.2500  1.7500  1.0950
  Si  1.9000  1.1000  0.5400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.3540]
_cell_length_b [6.6207]
_cell_length_c [8.7037]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3955]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KTmSiS4]
_chemical_formula_sum '[K2 Tm2 Si2 S8]'
_cell_volume [349.4020]
_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  0.2650  0.2500  0.0627  1.0
  Tm  Tm1  2  0.2244  0.2500  0.5492  1.0
  Si  Si2  2  0.2286  0.7500  0.3322  1.0
  S  S3  4  0.0025  0.5011  0.2942  1.0
  S  S4  2  0.4260  0.7500  0.1760  1.0
  S  S5  2  0.4307  0.7500  0.5744  1.0
]