data_[K6Yb2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Yb  1.1000  1.7500  1.0840
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.4234]
_cell_length_b [6.6956]
_cell_length_c [10.9552]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.9582]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K3YbF6]
_chemical_formula_sum '[K6 Yb2 F12]'
_cell_volume [386.1542]
_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  4  0.2718  0.5547  0.2557  1.0
  K  K1  2  0.5000  0.0000  0.5000  1.0
  Yb  Yb2  2  0.0000  0.0000  0.0000  1.0
  F  F3  4  0.1063  0.5638  0.7266  1.0
  F  F4  4  0.2492  0.2293  0.5755  1.0
  F  F5  4  0.3310  0.6804  0.5522  1.0
]