data_[K4Ta4F20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ta  1.5000  1.4500  0.8200
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.9817]
_cell_length_b [7.5383]
_cell_length_c [8.2133]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.5645]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KTaF5]
_chemical_formula_sum '[K4 Ta4 F20]'
_cell_volume [566.4766]
_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  0.4992  0.2500  1
  Ta  Ta1  4  0.0000  0.0000  0.0000  1
  F  F2  8  0.0039  0.2638  0.0009  1
  F  F3  8  0.2140  0.0059  0.6040  1
  F  F4  4  0.0000  0.0011  0.2500  1
]