data_[K2Tm2Fe4I16]
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
  Fe  1.8300  1.4000  0.8525
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.1621]
_cell_length_b [8.3932]
_cell_length_c [10.4424]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.4105]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KTm(FeI4)2]
_chemical_formula_sum '[K2 Tm2 Fe4 I16]'
_cell_volume [1064.0649]
_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  0.0000  0.5000  1.0
  Tm  Tm1  2  0.0000  0.0000  0.0000  1.0
  Fe  Fe2  4  0.1302  0.5000  0.7819  1.0
  I  I3  8  0.0076  0.2507  0.2095  1.0
  I  I4  4  0.2101  0.5000  0.5605  1.0
  I  I5  4  0.2445  0.0000  0.0018  1.0
]