data_[K2Tc1Cl1F6]
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
  Cl  3.1600  1.0000  0.7800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.3964]
_cell_length_b [6.0252]
_cell_length_c [7.2543]
_cell_angle_alpha [68.1434]
_cell_angle_beta [70.0653]
_cell_angle_gamma [72.0485]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [K2TcClF6]
_chemical_formula_sum '[K2 Tc1 Cl1 F6]'
_cell_volume [201.3059]
_cell_formula_units_Z [1]
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  0.3194  0.1806  0.2030  1
  Tc  Tc1  1  0.5000  0.5000  0.5000  1
  Cl  Cl2  1  0.0000  0.0000  0.0000  1
  F  F3  2  0.1497  0.7106  0.5277  1
  F  F4  2  0.3548  0.2199  0.5652  1
  F  F5  2  0.4681  0.4384  0.7885  1
]