data_[K2Tm2Ge2S8]
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
  Ge  2.0100  1.2500  0.7700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.4611]
_cell_length_b [6.7233]
_cell_length_c [8.7754]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3722]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KTmGeS4]
_chemical_formula_sum '[K2 Tm2 Ge2 S8]'
_cell_volume [363.8120]
_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  0.2598  0.2500  0.0608  1.0
  Tm  Tm1  2  0.2209  0.2500  0.5501  1.0
  Ge  Ge2  2  0.2338  0.7500  0.3333  1.0
  S  S3  4  0.0021  0.5032  0.7035  1.0
  S  S4  2  0.4380  0.7500  0.1731  1.0
  S  S5  2  0.4485  0.7500  0.5815  1.0
]