data_KFePbOF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.18
_cell_length_b   6.19
_cell_length_c   8.97
_cell_angle_alpha   88.23
_cell_angle_beta   89.58
_cell_angle_gamma   88.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KFePbOF6
_chemical_formula_sum   'K2 Fe2 Pb2 O2 F12'
_cell_volume   342.64
_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  0.73  0.01  0.96  1.0
  K  K1  1  0.68  0.45  0.01  1.0
  Fe  Fe2  1  0.65  0.86  0.98  1.0
  Fe  Fe3  1  0.75  0.6  0.98  1.0
  Pb  Pb4  1  0.67  0.66  0.48  1.0
  Pb  Pb5  1  0.74  0.79  0.49  1.0
  O  O6  1  0.74  0.53  0.47  1.0
  O  O7  1  0.66  0.93  0.5  1.0
  F  F8  1  0.7  0.33  0.87  1.0
  F  F9  1  0.71  0.12  0.1  1.0
  F  F10  1  0.17  0.95  0.82  1.0
  F  F11  1  0.23  0.51  0.14  1.0
  F  F12  1  0.69  0.01  0.93  1.0
  F  F13  1  0.71  0.45  0.04  1.0
  F  F14  1  0.1  0.19  0.71  1.0
  F  F15  1  0.3  0.27  0.26  1.0
  F  F16  1  0.11  0.22  0.2  1.0
  F  F17  1  0.29  0.24  0.76  1.0
  F  F18  1  0.41  0.05  0.01  1.0
  F  F19  1  0.99  0.41  0.96  1.0

data_KFePbOF6
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.18
_cell_length_b   6.19
_cell_length_c   8.97
_cell_angle_alpha   88.23
_cell_angle_beta   89.58
_cell_angle_gamma   88.54
_symmetry_Int_Tables_number   2
_chemical_formula_structural   KFePbOF6
_chemical_formula_sum   'K2 Fe2 Pb2 O2 F12'
_cell_volume   342.64
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.47  0.22  0.52  1.0
  Fe  Fe1  2  0.45  0.63  0.5  1.0
  Pb  Pb2  2  0.46  0.43  0.99  1.0
  O  O3  2  0.46  0.7  0.01  1.0
  F  F4  2  0.03  0.28  0.66  1.0
  F  F5  2  0.09  0.01  0.28  1.0
  F  F6  2  0.1  0.04  0.78  1.0
  F  F7  2  0.21  0.82  0.53  1.0
  F  F8  2  0.49  0.78  0.44  1.0
  F  F9  2  0.49  0.1  0.39  1.0

K K Fe Fe Pb Pb O O F F F F F F F F F F F F