data_[Cs4Zn4F12]
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 [15.2921]
_cell_length_b [3.4191]
_cell_length_c [8.2694]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9256]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsZnF3]
_chemical_formula_sum '[Cs4 Zn4 F12]'
_cell_volume [415.7788]
_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  0.1163  0.0000  0.8409  1
  Zn  Zn1  4  0.1669  0.5000  0.3410  1
  F  F2  4  0.0844  0.0000  0.2758  1
  F  F3  4  0.1868  0.5000  0.1150  1
  F  F4  4  0.1983  0.0000  0.5572  1
]