data_[Cs4Zr4F20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Zr  1.3300  1.5500  0.8600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [8.4743]
_cell_length_b [8.6865]
_cell_length_c [8.6778]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [CsZrF5]
_chemical_formula_sum '[Cs4 Zr4 F20]'
_cell_volume [638.7842]
_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
[
  Cs  Cs0  4  0.0000  0.2500  0.2527  1
  Zr  Zr1  4  0.2500  0.2500  0.7500  1
  F  F2  8  0.2432  0.2500  0.9819  1
  F  F3  8  0.2500  0.0182  0.7500  1
  F  F4  4  0.0000  0.2500  0.7416  1
]