data_[Cs2La2Fe2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  La  1.1000  1.9500  1.1720
  Fe  1.8300  1.4000  0.8525
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.0316]
_cell_length_b [10.6113]
_cell_length_c [6.3284]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.4743]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CsLaFeF6]
_chemical_formula_sum '[Cs2 La2 Fe2 F12]'
_cell_volume [405.0203]
_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  0.0017  0.0000  1.0
  La  La1  2  0.0000  0.3366  0.5000  1.0
  Fe  Fe2  2  0.0000  0.6652  0.5000  1.0
  F  F3  4  0.1128  0.5115  0.3071  1.0
  F  F4  4  0.1732  0.8029  0.3105  1.0
  F  F5  4  0.2153  0.1834  0.3210  1.0
]