data_[Cs2Zn2B2F12]
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
  B  2.0400  0.8500  0.4100
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [5.6341]
_cell_length_b [9.3851]
_cell_length_c [6.1826]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.4442]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CsZnBF6]
_chemical_formula_sum '[Cs2 Zn2 B2 F12]'
_cell_volume [325.4407]
_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  0.0071  0.5000  1
  Zn  Zn1  2  0.0000  0.3109  0.0000  1
  B  B2  2  0.0000  0.6218  0.0000  1
  F  F3  4  0.1468  0.5297  0.8847  1
  F  F4  4  0.1489  0.7064  0.1444  1
  F  F5  4  0.1554  0.2932  0.2707  1
]