data_[Cs2Zn4F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Zn  1.6500  1.3500  0.8800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.0088]
_cell_length_b [4.2093]
_cell_length_c [8.3978]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.3069]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsZn2F6]
_chemical_formula_sum '[Cs2 Zn4 F12]'
_cell_volume [329.6132]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.5000  1.0
  Zn  Zn1  4  0.1665  0.0000  0.0774  1.0
  F  F2  4  0.0048  0.0000  0.8544  1.0
  F  F3  4  0.1924  0.5000  0.0458  1.0
  F  F4  4  0.2121  0.5000  0.6905  1.0
]