data_K3HoF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.38
_cell_length_b   6.59
_cell_length_c   11.11
_cell_angle_alpha   90.0
_cell_angle_beta   124.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K3HoF6
_chemical_formula_sum   'K6 Ho2 F12'
_cell_volume   384.35
_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  0.84  0.3  0.57  1.0
  K  K2  1  0.94  0.62  0.25  1.0
  K  K3  1  0.13  0.97  0.88  1.0
  K  K4  1  0.28  0.33  0.31  1.0
  K  K5  1  0.78  0.27  0.82  1.0
  Ho  Ho6  1  0.03  0.0  0.57  1.0
  Ho  Ho7  1  0.19  0.3  0.0  1.0
  F  F8  1  0.95  0.8  0.98  1.0
  F  F9  1  0.11  0.79  0.16  1.0
  F  F10  1  0.27  0.09  0.59  1.0
  F  F11  1  0.79  0.5  0.55  1.0
  F  F12  1  0.7  0.26  0.52  1.0
  F  F13  1  0.37  0.33  0.61  1.0
  F  F14  1  0.53  0.96  0.04  1.0
  F  F15  1  0.54  0.63  0.09  1.0
  F  F16  1  0.25  0.43  0.13  1.0
  F  F17  1  0.81  0.16  0.0  1.0
  F  F18  1  0.97  0.14  0.43  1.0
  F  F19  1  0.1  0.45  0.7  1.0

data_K3HoF6
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.38
_cell_length_b   6.59
_cell_length_c   9.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K3HoF6
_chemical_formula_sum   'K6 Ho2 F12'
_cell_volume   384.35
_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  0.25  0.03  0.12  1.0
  K  K2  1  0.27  0.7  0.43  1.0
  K  K3  1  0.69  0.38  0.75  1.0
  K  K4  1  0.96  0.73  0.18  1.0
  K  K5  1  0.97  0.67  0.69  1.0
  Ho  Ho6  1  0.19  0.7  -0.0  1.0
  Ho  Ho7  1  0.47  0.0  0.43  1.0
  F  F8  1  0.12  0.57  0.87  1.0
  F  F9  1  0.17  0.74  0.48  1.0
  F  F10  1  0.25  0.5  0.45  1.0
  F  F11  1  0.39  0.55  0.3  1.0
  F  F12  1  0.45  0.37  0.91  1.0
  F  F13  1  0.48  0.04  0.96  1.0
  F  F14  1  0.54  0.86  0.57  1.0
  F  F15  1  0.68  0.91  0.41  1.0
  F  F16  1  0.76  0.67  0.39  1.0
  F  F17  1  0.81  0.84  1.0  1.0
  F  F18  1  0.96  0.21  0.84  1.0
  F  F19  1  0.97  0.2  0.02  1.0

K K K K K K Ho Ho F F F F F F F F F F F F