data_[K4Ho4F16]
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 [Pnma]
_cell_length_a [6.1096]
_cell_length_b [3.6031]
_cell_length_c [15.5549]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [KHoF4]
_chemical_formula_sum '[K4 Ho4 F16]'
_cell_volume [342.4170]
_cell_formula_units_Z [4]
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  0.2237  0.2500  0.7985  1
  Ho  Ho1  4  0.2494  0.7500  0.5586  1
  F  F2  4  0.0041  0.2500  0.9439  1
  F  F3  4  0.0960  0.2500  0.1867  1
  F  F4  4  0.1081  0.2500  0.6298  1
  F  F5  4  0.1328  0.2500  0.4638  1
]