data_[K4Ho2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ho  1.2300  1.7500  1.0410
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.8314]
_cell_length_b [6.3161]
_cell_length_c [3.9845]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6511]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2HoF6]
_chemical_formula_sum '[K4 Ho2 F12]'
_cell_volume [312.4227]
_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  0.1690  0.5000  0.6635  1.0
  Ho  Ho1  2  0.0000  0.0000  0.0000  1.0
  F  F2  8  0.1403  0.2188  0.1405  1.0
  F  F3  4  0.0000  0.1977  0.5000  1.0
]