data_[Sr2Fe4F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Fe  1.8300  1.4000  0.8525
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.3776]
_cell_length_b [4.0265]
_cell_length_c [6.1554]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5369]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [SrFe2F6]
_chemical_formula_sum '[Sr2 Fe4 F12]'
_cell_volume [224.9791]
_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
[
  Sr  Sr0  2  0.1196  0.5000  0.0261  1
  Fe  Fe1  2  0.0245  0.0000  0.4606  1
  Fe  Fe2  2  0.2848  0.0000  0.5316  1
  F  F3  2  0.0159  0.5000  0.4814  1
  F  F4  2  0.0787  0.0000  0.7806  1
  F  F5  2  0.2478  0.0000  0.2091  1
  F  F6  2  0.2963  0.5000  0.4891  1
  F  F7  2  0.3623  0.0000  0.8388  1
  F  F8  2  0.4651  0.5000  0.1476  1
]