data_[Cs2Cr2B2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Cr  1.6600  1.4000  0.9400
  B  2.0400  0.8500  0.4100
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [4.8073]
_cell_length_b [9.8986]
_cell_length_c [6.5729]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.8199]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CsCrBF6]
_chemical_formula_sum '[Cs2 Cr2 B2 F12]'
_cell_volume [312.0841]
_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  0.0348  0.5000  1
  Cr  Cr1  2  0.0000  0.3202  0.0000  1
  B  B2  2  0.0000  0.6130  0.0000  1
  F  F3  4  0.1781  0.5253  0.8910  1
  F  F4  4  0.1814  0.6942  0.1297  1
  F  F5  4  0.1867  0.3195  0.2695  1
]