data_[K8Zr4F24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Zr  1.3300  1.5500  0.8600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.6961]
_cell_length_b [11.7482]
_cell_length_c [7.0159]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [K2ZrF6]
_chemical_formula_sum '[K8 Zr4 F24]'
_cell_volume [551.9230]
_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  8  0.0000  0.3429  0.0009  1.0
  Zr  Zr1  4  0.0000  0.0508  0.2500  1.0
  F  F2  8  0.0000  0.0991  0.5460  1.0
  F  F3  8  0.1898  0.1969  0.2500  1.0
  F  F4  8  0.2090  0.4907  0.2500  1.0
]