data_K3YbF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.38
_cell_length_b   6.65
_cell_length_c   11.09
_cell_angle_alpha   90.0
_cell_angle_beta   124.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K3YbF6
_chemical_formula_sum   'K6 Yb2 F12'
_cell_volume   387.45
_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  0.85  0.32  0.57  1.0
  K  K1  1  0.0  0.0  0.0  1.0
  K  K2  1  0.12  0.29  0.32  1.0
  K  K3  1  0.96  0.36  0.81  1.0
  K  K4  1  0.11  0.96  0.25  1.0
  K  K5  1  0.97  0.69  0.88  1.0
  Yb  Yb6  1  0.19  0.32  0.0  1.0
  Yb  Yb7  1  0.04  0.0  0.57  1.0
  F  F8  1  0.09  0.49  0.63  1.0
  F  F9  1  0.99  0.16  0.5  1.0
  F  F10  1  0.14  0.81  0.94  1.0
  F  F11  1  0.94  0.84  0.19  1.0
  F  F12  1  0.93  0.71  0.06  1.0
  F  F13  1  0.15  0.94  0.07  1.0
  F  F14  1  0.3  0.38  0.51  1.0
  F  F15  1  0.78  0.26  0.63  1.0
  F  F16  1  0.39  0.51  0.47  1.0
  F  F17  1  0.69  0.14  0.66  1.0
  F  F18  1  0.84  0.18  0.1  1.0
  F  F19  1  0.24  0.47  0.03  1.0

data_K3YbF6
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.38
_cell_length_b   6.65
_cell_length_c   9.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K3YbF6
_chemical_formula_sum   'K6 Yb2 F12'
_cell_volume   387.45
_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  0.0  0.0  1.0
  K  K1  1  0.09  0.31  0.12  1.0
  K  K2  1  0.14  0.64  0.19  1.0
  K  K3  1  0.28  0.68  0.43  1.0
  K  K4  1  0.8  0.71  0.68  1.0
  K  K5  1  0.86  0.04  0.75  1.0
  Yb  Yb6  1  0.19  0.68  -0.0  1.0
  Yb  Yb7  1  0.47  0.0  0.43  1.0
  F  F8  1  0.02  0.86  0.34  1.0
  F  F9  1  0.08  0.06  0.93  1.0
  F  F10  1  0.15  0.74  0.37  1.0
  F  F11  1  0.21  0.19  0.06  1.0
  F  F12  1  0.21  0.53  0.97  1.0
  F  F13  1  0.46  0.51  0.37  1.0
  F  F14  1  0.49  0.84  0.5  1.0
  F  F15  1  0.74  0.82  0.9  1.0
  F  F16  1  0.74  0.16  0.81  1.0
  F  F17  1  0.8  0.62  0.49  1.0
  F  F18  1  0.87  0.29  0.94  1.0
  F  F19  1  0.93  0.49  0.53  1.0

K K K K K K Yb Yb F F F F F F F F F F F F
K K K K K K Yb Yb F F F F F F F F F F F F 0 15 o o o 0 8 + o o 1 13 o - o 1 18 - o o 2 4 o - o 2 18 - o o 2 16 o o o 2 14 o o o 3 17 o o o 3 15 o o o 3 6 + o + 3 19 + o + 4 11 - o o 4 18 - + o 5 10 + o o 5 12 o o + 6 19 o o o 7 9 - o o 11 12 o o o 11 18 o + o 12 13 + o o 14 16 o o o 15 17 o o o 