data_[Cs2Fe2Cu2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Fe  1.8300  1.4000  0.8525
  Cu  1.9000  1.3500  0.8200
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [5.6268]
_cell_length_b [9.1976]
_cell_length_c [6.5185]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.1318]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CsFeCuF6]
_chemical_formula_sum '[Cs2 Fe2 Cu2 F12]'
_cell_volume [337.1161]
_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  0.9817  0.0000  1.0
  Fe  Fe1  2  0.0000  0.3280  0.5000  1.0
  Cu  Cu2  2  0.0000  0.6641  0.5000  1.0
  F  F3  4  0.1095  0.5020  0.6702  1.0
  F  F4  4  0.1560  0.2016  0.6934  1.0
  F  F5  4  0.1936  0.8100  0.6486  1.0
]