data_[K6Tc6I12F36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Tc  1.9000  1.3500  0.7417
  I  2.6600  1.4000  1.2733
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.9138]
_cell_length_b [5.9138]
_cell_length_c [48.1385]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [KTc(IF3)2]
_chemical_formula_sum '[K6 Tc6 I12 F36]'
_cell_volume [1458.0192]
_cell_formula_units_Z [6]
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  6  0.0000  0.0000  0.3919  1
  Tc  Tc1  3  -0.0000  -0.0000  0.5000  1
  Tc  Tc2  3  0.0000  0.0000  0.0000  1
  I  I3  6  0.0000  0.0000  0.0946  1
  I  I4  6  0.0000  0.0000  0.2426  1
  F  F5  18  0.0311  0.5156  0.6898  1
  F  F6  18  0.0352  0.5176  0.1439  1
]