data_[K2Tm2Ag2I12]
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
  Ag  1.9300  1.6000  1.0867
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [8.2324]
_cell_length_b [12.7322]
_cell_length_c [7.8169]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.7745]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [KTmAgI6]
_chemical_formula_sum '[K2 Tm2 Ag2 I12]'
_cell_volume [815.1921]
_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  0.0000  0.0133  0.5000  1.0
  Tm  Tm1  2  0.0000  0.6793  0.0000  1.0
  Ag  Ag2  2  0.0000  0.3324  0.0000  1.0
  I  I3  4  0.1106  0.4953  0.2323  1.0
  I  I4  4  0.1775  0.8144  0.2558  1.0
  I  I5  4  0.1933  0.1784  0.1897  1.0
]