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 [Cmc2_1]
_cell_length_a [4.3730]
_cell_length_b [17.8755]
_cell_length_c [6.2216]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [KHoF4]
_chemical_formula_sum '[K4 Ho4 F16]'
_cell_volume [486.3383]
_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  0.0000  0.1965  0.2165  1.0
  Ho  Ho1  4  0.0000  0.4126  0.2199  1.0
  F  F2  4  0.0000  0.0874  0.7212  1.0
  F  F3  4  0.0000  0.3251  0.4550  1.0
  F  F4  4  0.0000  0.3275  0.9782  1.0
  F  F5  4  0.0000  0.4981  0.4758  1.0
]