data_KNaThF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.14
_cell_length_b   6.14
_cell_length_c   7.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNaThF6
_chemical_formula_sum   'K2 Na2 Th2 F12'
_cell_volume   248.21
_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  K12  1  0.07  0.77  0.95  1.0
  K  K13  1  0.0  0.54  0.65  1.0
  Na  Na14  1  0.0  0.0  0.82  1.0
  Na  Na15  1  0.0  0.0  0.78  1.0
  Th  Th16  1  0.0  0.54  0.99  1.0
  Th  Th17  1  0.07  0.77  0.61  1.0
  F  F0  1  0.75  0.27  0.78  1.0
  F  F1  1  0.03  0.43  0.78  1.0
  F  F2  1  0.43  0.61  0.78  1.0
  F  F3  1  0.48  0.0  0.57  1.0
  F  F4  1  0.92  0.76  0.57  1.0
  F  F5  1  0.59  0.87  0.57  1.0
  F  F6  1  0.48  0.45  0.03  1.0
  F  F7  1  0.15  0.55  0.03  1.0
  F  F8  1  0.59  0.31  0.03  1.0
  F  F9  1  0.64  0.71  0.82  1.0
  F  F10  1  0.04  0.88  0.82  1.0
  F  F11  1  0.32  0.04  0.82  1.0

data_KNaThF6
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.14
_cell_length_b   6.14
_cell_length_c   7.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNaThF6
_chemical_formula_sum   'K2 Na2 Th2 F12'
_cell_volume   248.21
_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  1  -0.0  0.54  0.65  1.0
  K  K1  1  0.07  0.77  0.95  1.0
  Na  Na2  1  0.0  0.0  0.78  1.0
  Na  Na3  1  0.0  0.0  0.82  1.0
  Th  Th4  1  -0.0  0.54  0.99  1.0
  Th  Th5  1  0.07  0.77  0.61  1.0
  F  F6  1  0.03  0.43  0.78  1.0
  F  F7  1  0.04  0.88  0.82  1.0
  F  F8  1  0.15  0.55  0.03  1.0
  F  F9  1  0.32  0.04  0.82  1.0
  F  F10  1  0.43  0.61  0.78  1.0
  F  F11  1  0.48  0.45  0.03  1.0
  F  F12  1  0.48  0.0  0.57  1.0
  F  F13  1  0.59  0.31  0.03  1.0
  F  F14  1  0.59  0.87  0.57  1.0
  F  F15  1  0.64  0.71  0.82  1.0
  F  F16  1  0.75  0.27  0.78  1.0
  F  F17  1  0.92  0.76  0.57  1.0

K K Na Na Th Th F F F F F F F F F F F F